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  1. ALA5190333

    Name:
    (3S,8R,9S,10R,13S,14S)-17-(1H-benzo[d]imidazol-1-yl)-16-formyl-10,13-dimethShow More

    Mol. Formula:
    C31H36N2O3

    M.W.:
    484.64

    Type:
    ---

    AlogP:
    6.34

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  2. ALA3350360

    Name:
    1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic aShow More

    Mol. Formula:
    C24H40N2O2

    M.W.:
    388.60

    Type:
    Small molecule

    AlogP:
    4.33

    Polar Surface Area:
    40.62

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  3. ALA3342906

    Name:
    (3S,8R,9S,10R,13S,14S)-16-formyl-17-(1H-imidazol-1-yl)-10,13-dimethyl-2,3,4Show More

    Mol. Formula:
    C25H32N2O3

    M.W.:
    408.54

    Type:
    Small molecule

    AlogP:
    4.80

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  4. ALA3342905

    Name:
    16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-4'-iodobenzoate

    Mol. Formula:
    C30H33IN2O3

    M.W.:
    596.51

    Type:
    Small molecule

    AlogP:
    6.70

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  5. ALA3342904

    Name:
    16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-4'-bromobenzoatShow More

    Mol. Formula:
    C30H33BrN2O3

    M.W.:
    549.51

    Type:
    Small molecule

    AlogP:
    6.85

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  6. ALA3342903

    Name:
    16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-4'-chlorobenzoaShow More

    Mol. Formula:
    C30H33ClN2O3

    M.W.:
    505.06

    Type:
    Small molecule

    AlogP:
    6.74

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  7. ALA3342902

    Name:
    16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-4'-fluorobenzoaShow More

    Mol. Formula:
    C30H33FN2O3

    M.W.:
    488.60

    Type:
    Small molecule

    AlogP:
    6.23

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  8. ALA3342901

    Name:
    16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-cycloheptancarbShow More

    Mol. Formula:
    C31H42N2O3

    M.W.:
    490.69

    Type:
    Small molecule

    AlogP:
    6.75

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  9. ALA3342900

    Name:
    16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-cyclohexancarboShow More

    Mol. Formula:
    C30H40N2O3

    M.W.:
    476.66

    Type:
    Small molecule

    AlogP:
    6.36

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  10. ALA3342899

    Name:
    16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-cyclopentancarbShow More

    Mol. Formula:
    C29H38N2O3

    M.W.:
    462.63

    Type:
    Small molecule

    AlogP:
    5.97

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  11. ALA3342898

    Name:
    16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-cyclobutancarboShow More

    Mol. Formula:
    C28H36N2O3

    M.W.:
    448.61

    Type:
    Small molecule

    AlogP:
    5.58

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  12. ALA3342897

    Name:
    16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-cyclopropancarbShow More

    Mol. Formula:
    C27H34N2O3

    M.W.:
    434.58

    Type:
    Small molecule

    AlogP:
    5.19

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  13. (3S,8R,9S,10R,13S,14S)-17-chloro-16-formyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

    Name:
    (3S,8R,9S,10R,13S,14S)-17-chloro-16-formyl-10,13-dimethyl-2,3,4,7,8,9,10,11Show More

    Mol. Formula:
    C22H29ClO3

    M.W.:
    376.92

    Type:
    Small molecule

    AlogP:
    5.18

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  14. ALA3342895

    Name:
    16-Formyl-17-chloroandrosta-5,16-diene-3beta-yl-cycloheptancarboxylate

    Mol. Formula:
    C28H39ClO3

    M.W.:
    459.07

    Type:
    Small molecule

    AlogP:
    7.13

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  15. ALA3342894

    Name:
    16-Formyl-17-chloroandrosta-5,16-diene-3beta-yl-cyclohexancarboxylate

    Mol. Formula:
    C27H37ClO3

    M.W.:
    445.04

    Type:
    Small molecule

    AlogP:
    6.74

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  16. ALA3342893

    Name:
    16-Formyl-17-chloroandrosta-5,16-diene-3beta-yl-cyclopentancarboxylate

    Mol. Formula:
    C26H35ClO3

    M.W.:
    431.02

    Type:
    Small molecule

    AlogP:
    6.35

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  17. ALA3342892

    Name:
    16-Formyl-17-chloroandrosta-5,16-diene-3beta-yl-cyclobutancarboxylate

    Mol. Formula:
    C25H33ClO3

    M.W.:
    416.99

    Type:
    Small molecule

    AlogP:
    5.96

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  18. ALA3342891

    Name:
    16-Formyl-17-chloroandrosta-5,16-diene-3beta-yl-cyclopropancarboxylate

    Mol. Formula:
    C24H31ClO3

    M.W.:
    402.96

    Type:
    Small molecule

    AlogP:
    5.57

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  19. ALA3309454

    Name:
    (E,E)-8-Hydroxygermacrene B

    Mol. Formula:
    C12H20O

    M.W.:
    180.29

    Type:
    Small molecule

    AlogP:
    3.20

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  20. ALA3309453

    Name:
    Germacrone

    Mol. Formula:
    C15H22O

    M.W.:
    218.34

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
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