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Compounds

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Items 1-20 of 48

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  1. ALA4130134

    Name:
    1-(3-(2,3-Difluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyraShow More⌵

    Mol. Formula:
    C18H13F5N2O2

    M.W.:
    384.30

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  2. ALA4129650

    Name:
    2-(3-Chlorophenyl)-1-(5-hydroxy-3-(m-tolyl)-5-(trifluoromethyl)-4,5-dihydroShow More⌵

    Mol. Formula:
    C19H16ClF3N2O2

    M.W.:
    396.80

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  3. ALA4129510

    Name:
    2-(2-Chlorophenyl)-1-(5-hydroxy-3-(o-tolyl)-5-(trifluoromethyl)-4,5-dihydroShow More⌵

    Mol. Formula:
    C19H16ClF3N2O2

    M.W.:
    396.80

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  4. ALA4129353

    Name:
    1-(5-Hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-4,5-Show More⌵

    Mol. Formula:
    C22H21F3N2O2

    M.W.:
    402.42

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  5. ALA4129243

    Name:
    1-(5-Hydroxy-3-(m-tolyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2Show More⌵

    Mol. Formula:
    C20H19F3N2O3

    M.W.:
    392.38

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    62.13

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  6. ALA4129189

    Name:
    2-(4-Chlorophenyl)-1-(5-hydroxy-3-(o-tolyl)-5-(trifluoromethyl)-4,5-dihydroShow More⌵

    Mol. Formula:
    C19H16ClF3N2O2

    M.W.:
    396.80

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  7. ALA4128752

    Name:
    1-(5-Hydroxy-5-(trifluoromethyl)-3-(3-(trifluoromethyl)phenyl)-4,5-dihydro-Show More⌵

    Mol. Formula:
    C19H14F6N2O2

    M.W.:
    416.32

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  8. ALA4128710

    Name:
    1-(5-Hydroxy-3-(3-methylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-Show More⌵

    Mol. Formula:
    C19H17F3N2O2

    M.W.:
    362.35

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  9. ALA4128678

    Name:
    1-(5-Hydroxy-3-(m-tolyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2Show More⌵

    Mol. Formula:
    C20H19F3N2O2

    M.W.:
    376.38

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  10. ALA4128571

    Name:
    1-(3-(3-Bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1Show More⌵

    Mol. Formula:
    C18H14BrF3N2O2

    M.W.:
    427.22

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  11. ALA4128402

    Name:
    1-(3-(2-Chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-Show More⌵

    Mol. Formula:
    C18H14ClF3N2O2

    M.W.:
    382.77

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  12. ALA4128278

    Name:
    2-(3-Chlorophenyl)-1-(5-hydroxy-3-(o-tolyl)-5-(trifluoromethyl)-4,5-dihydroShow More⌵

    Mol. Formula:
    C19H16ClF3N2O2

    M.W.:
    396.80

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  13. ALA4128236

    Name:
    1-(5-Hydroxy-3-(o-tolyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2Show More⌵

    Mol. Formula:
    C19H17F3N2O3

    M.W.:
    378.35

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    62.13

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  14. ALA4128127

    Name:
    2-(4-Chlorophenyl)-1-(5-hydroxy-3-(m-tolyl)-5-(trifluoromethyl)-4,5-dihydroShow More⌵

    Mol. Formula:
    C19H16ClF3N2O2

    M.W.:
    396.80

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  15. ALA4128097

    Name:
    1-(3-(2,5-Dichlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyraShow More⌵

    Mol. Formula:
    C18H13Cl2F3N2O2

    M.W.:
    417.21

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  16. ALA4127292

    Name:
    1-(5-Hydroxy-3-(o-tolyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2Show More⌵

    Mol. Formula:
    C20H19F3N2O2

    M.W.:
    376.38

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  17. ALA4127069

    Name:
    1-(5-Hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1Show More⌵

    Mol. Formula:
    C18H14F3N3O4

    M.W.:
    393.32

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.02

    Polar Surface Area:
    96.04

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  18. ALA4127025

    Name:
    1-(3-(2-Bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1Show More⌵

    Mol. Formula:
    C18H14BrF3N2O2

    M.W.:
    427.22

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  19. ALA4126980

    Name:
    1-(5-Hydroxy-3-(m-tolyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2Show More⌵

    Mol. Formula:
    C20H19F3N2O2

    M.W.:
    376.38

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    52.90

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  20. ALA4126729

    Name:
    1-(5-Hydroxy-3-(m-tolyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2Show More⌵

    Mol. Formula:
    C20H19F3N2O3

    M.W.:
    392.38

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    62.13

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
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