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Compounds

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  1. ALA5288660

    Name:
    4-(5-(2-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihyShow More⌵

    Mol. Formula:
    C22H23N5O

    M.W.:
    373.46

    Type:
    ---

    AlogP:
    1.42

    Polar Surface Area:
    82.17

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  2. ALA5287725

    Name:
    8-(dibenzo[b,d]thiophen-1-yl)-2-morpholino-4H-chromen-4-one

    Mol. Formula:
    C25H19NO3S

    M.W.:
    413.50

    Type:
    ---

    AlogP:
    5.66

    Polar Surface Area:
    42.68

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  3. ALA4521096

    Name:
    N-(3,5-dimethylphenyl)-4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazolShow More⌵

    Mol. Formula:
    C26H27FN6

    M.W.:
    442.54

    41  activity values

    11   unique targets

    Type:
    Unknown

    AlogP:
    5.43

    Polar Surface Area:
    67.66

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  4. ALA4452281

    Name:
    N-(3,4-dimethylphenyl)-4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazolShow More⌵

    Mol. Formula:
    C26H27FN6

    M.W.:
    442.54

    10  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    5.43

    Polar Surface Area:
    67.66

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  5. ALA4104541

    Name:
    allyl 1-ethyl-7-methyl-2,4-dioxo-5-p-tolyl-1,2,3,4,5,8-hexahydropyrido[2,3-Show More⌵

    Mol. Formula:
    C21H23N3O4

    M.W.:
    381.43

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    93.19

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  6. ALA4104179

    Name:
    1-Ethyl-5-(p-tolyl)-5,9-dihydrofuro[3',4':5,6]pyrido[2,3-d]-pyrimidine-2,4,Show More⌵

    Mol. Formula:
    C18H17N3O4

    M.W.:
    339.35

    24  activity values

    9   unique targets

    Type:
    Small molecule

    AlogP:
    1.23

    Polar Surface Area:
    93.19

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  7. ALA4103140

    Name:
    1-Ethyl-7-(4-methoxyphenethyl)-5-(p-tolyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3'Show More⌵

    Mol. Formula:
    C27H28N4O4

    M.W.:
    472.55

    5  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    2.77

    Polar Surface Area:
    96.43

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  8. ALA4102160

    Name:
    5-(4-Methoxyphenyl)-1,3-dimethyl-5,9-dihydrofuro[3',4':5,6]-pyrido[2,3-d]pyShow More⌵

    Mol. Formula:
    C18H17N3O5

    M.W.:
    355.35

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    0.46

    Polar Surface Area:
    91.56

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  9. ALA4101588

    Name:
    8-(2-hydroxyethylimino)-7-(naphthalen-1-ylmethyl)-8,9-dihydro-1H-purine-2,6Show More⌵

    Mol. Formula:
    C18H17N5O3

    M.W.:
    351.37

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    0.44

    Polar Surface Area:
    119.03

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  10. ALA4098168

    Name:
    7-(4-fluorobenzyl)-3-methyl-8-(methylimino)-8,9-dihydro-1H-purine-2,6(3H,7HShow More⌵

    Mol. Formula:
    C14H14FN5O2

    M.W.:
    303.30

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    0.07

    Polar Surface Area:
    87.94

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  11. ALA4094424

    Name:
    1-Ethyl-5-(4-(trifluoromethyl)phenyl)-5,9-dihydrofuro[3',4':5,6]-pyrido[2,3Show More⌵

    Mol. Formula:
    C18H14F3N3O4

    M.W.:
    393.32

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    1.94

    Polar Surface Area:
    93.19

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  12. ALA4094383

    Name:
    1,3-diethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carbaldehyde

    Mol. Formula:
    C12H14N2O2

    M.W.:
    218.26

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    1.66

    Polar Surface Area:
    44.00

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  13. ALA4094028

    Name:
    1-Ethyl-5-phenyl-8,9-dihydrofuro[3',4':5,6]pyrido[2,3-d]-pyrimidine-2,4,6(1Show More⌵

    Mol. Formula:
    C17H15N3O4

    M.W.:
    325.32

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    0.92

    Polar Surface Area:
    93.19

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  14. ALA4093510

    Name:
    1-Ethyl-5-(p-tolyl)-5,7,8,9-tetrahydro-1H-cyclopenta[5,6]pyrido-[2,3-d]pyriShow More⌵

    Mol. Formula:
    C19H19N3O3

    M.W.:
    337.38

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    2.04

    Polar Surface Area:
    83.96

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  15. ALA4092949

    Name:
    1-Ethyl-7-phenethyl-5-(p-tolyl)-5,7,8,9-tetrahydro-1H-pyrrolo-[3',4':5,6]pyShow More⌵

    Mol. Formula:
    C26H26N4O3

    M.W.:
    442.52

    5  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    87.20

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  16. ALA4089152

    Name:
    7-Allyl-1-ethyl-5-(p-tolyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]-pyridoShow More⌵

    Mol. Formula:
    C21H22N4O3

    M.W.:
    378.43

    5  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    1.70

    Polar Surface Area:
    87.20

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  17. ALA4088746

    Name:
    5-Phenyl-1-propyl-8,9-dihydrofuro[3',4':5,6]pyrido[2,3-d]-pyrimidine-2,4,6(Show More⌵

    Mol. Formula:
    C18H17N3O4

    M.W.:
    339.35

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    1.31

    Polar Surface Area:
    93.19

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  18. ALA4088018

    Name:
    8-chloro-6-(4-chlorophenyl)-1-methyl-3,4-dihydrobenzo[b][1,5]diazocin-2(1H)Show More⌵

    Mol. Formula:
    C17H14Cl2N2O

    M.W.:
    333.22

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.20

    Polar Surface Area:
    32.67

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  19. ALA4086644

    Name:
    benzyl 1-ethyl-7-methyl-2,4-dioxo-5-p-tolyl-1,2,3,4,5,8-hexahydropyrido[2,3Show More⌵

    Mol. Formula:
    C25H25N3O4

    M.W.:
    431.49

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.44

    Polar Surface Area:
    93.19

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  20. ALA4086263

    Name:
    5-(4-Methoxyphenyl)-1-methyl-5,9-dihydrofuro[3',4':5,6]pyrido-[2,3-d]pyrimiShow More⌵

    Mol. Formula:
    C17H15N3O5

    M.W.:
    341.32

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    0.45

    Polar Surface Area:
    102.42

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
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