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Compounds

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  1. ALA2272789

    Name:
    3-(bromomethyl)-7-(4-chlorophenyl)-5,7-dihydro-4H-pyrano[3,4-c]isoxazole

    Mol. Formula:
    C13H11BrClNO2

    M.W.:
    328.59

    9  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    35.26

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  2. ALA2272346

    Name:
    N-(2-isopentylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carShow More⌵

    Mol. Formula:
    C15H18F3N3OS

    M.W.:
    345.39

    5  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    46.92

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  3. ALA2272332

    Name:
    2-methyl-N-(2-(4-methylpentan-2-yl)thiophen-3-yl)-4-(trifluoromethyl)thiazoShow More⌵

    Mol. Formula:
    C16H19F3N2OS2

    M.W.:
    376.47

    5  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    5.93

    Polar Surface Area:
    41.99

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  4. ALA2271176

    Name:
    1-(4-chlorophenyl)-3-(5-(4-methoxyphenylamino)-1,3,4-oxadiazol-2-yl)-6-methShow More⌵

    Mol. Formula:
    C20H16ClN5O3

    M.W.:
    409.83

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    95.07

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  5. ALA2271175

    Name:
    1-(2,4-dimethylphenyl)-3-(5-(2-fluorophenylamino)-1,3,4-oxadiazol-2-yl)-6-mShow More⌵

    Mol. Formula:
    C21H18FN5O2

    M.W.:
    391.41

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.09

    Polar Surface Area:
    85.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  6. ALA2271174

    Name:
    1-(2,4-dimethylphenyl)-6-methyl-3-(5-(3-(trifluoromethyl)phenylamino)-1,3,4Show More⌵

    Mol. Formula:
    C22H18F3N5O2

    M.W.:
    441.41

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.97

    Polar Surface Area:
    85.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  7. ALA2271173

    Name:
    3-(5-(2-fluorophenylamino)-1,3,4-oxadiazol-2-yl)-6-methyl-1-(2,4,5-trichlorShow More⌵

    Mol. Formula:
    C19H11Cl3FN5O2

    M.W.:
    466.69

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.43

    Polar Surface Area:
    85.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  8. ALA2271172

    Name:
    1-(4-chlorophenyl)-3-(5-(2-fluorophenylamino)-1,3,4-oxadiazol-2-yl)-6-methyShow More⌵

    Mol. Formula:
    C19H13ClFN5O2

    M.W.:
    397.80

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    85.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  9. ALA2271171

    Name:
    1-(4-chlorophenyl)-6-methyl-3-(5-(3-(trifluoromethyl)phenylamino)-1,3,4-oxaShow More⌵

    Mol. Formula:
    C20H13ClF3N5O2

    M.W.:
    447.80

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.01

    Polar Surface Area:
    85.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  10. ALA2271170

    Name:
    1-(2,6-dichlorophenyl)-3-(5-(2-fluorophenylamino)-1,3,4-oxadiazol-2-yl)-6-mShow More⌵

    Mol. Formula:
    C19H12Cl2FN5O2

    M.W.:
    432.24

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.78

    Polar Surface Area:
    85.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  11. ALA2271169

    Name:
    3-(5-(2-fluorophenylamino)-1,3,4-oxadiazol-2-yl)-6-methyl-1-phenylpyridazinShow More⌵

    Mol. Formula:
    C19H14FN5O2

    M.W.:
    363.35

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    85.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  12. ALA2271168

    Name:
    1-(2-chlorophenyl)-6-methyl-3-(5-(phenylamino)-1,3,4-oxadiazol-2-yl)pyridazShow More⌵

    Mol. Formula:
    C19H14ClN5O2

    M.W.:
    379.81

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    85.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  13. ALA2271167

    Name:
    1-(2-chlorophenyl)-3-(5-(2-fluorophenylamino)-1,3,4-oxadiazol-2-yl)-6-methyShow More⌵

    Mol. Formula:
    C19H13ClFN5O2

    M.W.:
    397.80

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    85.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  14. ALA2271166

    Name:
    1-(2-chlorophenyl)-6-methyl-3-(5-(3-(trifluoromethyl)phenylamino)-1,3,4-oxaShow More⌵

    Mol. Formula:
    C20H13ClF3N5O2

    M.W.:
    447.80

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.01

    Polar Surface Area:
    85.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  15. ALA2270911

    Name:
    1-(2,4-dichlorophenyl)-6-methyl-3-(5-(phenylamino)-1,3,4-thiadiazol-2-yl)pyShow More⌵

    Mol. Formula:
    C19H13Cl2N5OS

    M.W.:
    430.32

    2  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.11

    Polar Surface Area:
    72.70

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  16. ALA2270910

    Name:
    1-(2,4-dichlorophenyl)-6-methyl-3-(5-(3-(trifluoromethyl)phenylamino)-1,3,4Show More⌵

    Mol. Formula:
    C20H12Cl2F3N5OS

    M.W.:
    498.32

    2  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    6.13

    Polar Surface Area:
    72.70

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  17. ALA2270909

    Name:
    1-(2,4-dichlorophenyl)-3-(5-(2-fluorophenylamino)-1,3,4-thiadiazol-2-yl)-6-Show More⌵

    Mol. Formula:
    C19H12Cl2FN5OS

    M.W.:
    448.31

    2  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.25

    Polar Surface Area:
    72.70

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  18. ALA2270908

    Name:
    1-(2,4-dimethylphenyl)-3-(5-(2-fluorophenylamino)-1,3,4-thiadiazol-2-yl)-6-Show More⌵

    Mol. Formula:
    C21H18FN5OS

    M.W.:
    407.47

    2  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.56

    Polar Surface Area:
    72.70

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  19. ALA2270907

    Name:
    1-(2,4-dimethylphenyl)-6-methyl-3-(5-(3-(trifluoromethyl)phenylamino)-1,3,4Show More⌵

    Mol. Formula:
    C22H18F3N5OS

    M.W.:
    457.48

    2  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.44

    Polar Surface Area:
    72.70

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA2270906

    Name:
    6-methyl-1-(2,4,5-trichlorophenyl)-3-(5-(3-(trifluoromethyl)phenylamino)-1,Show More⌵

    Mol. Formula:
    C20H11Cl3F3N5OS

    M.W.:
    532.76

    2  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    6.78

    Polar Surface Area:
    72.70

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
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