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Compounds

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  1. ALA5280990

    Name:
    2-bromo-N'-(2,3-dichloro-5-ethoxy-6-hydroxybenzylidene)benzohydrazide

    Mol. Formula:
    C16H13BrCl2N2O3

    M.W.:
    432.10

    Type:
    ---

    AlogP:
    4.62

    Polar Surface Area:
    70.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  2. ALA5280296

    Name:
    N-(4-acetamidophenyl)-8-chloro-4-oxo-1,4-dihydroquinoline-3-carboxamide

    Mol. Formula:
    C18H14ClN3O3

    M.W.:
    355.78

    Type:
    ---

    AlogP:
    3.39

    Polar Surface Area:
    91.06

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  3. ALA5275368

    Name:
    N-(5-hydroxy-2-methylphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

    Mol. Formula:
    C17H14N2O3

    M.W.:
    294.31

    Type:
    ---

    AlogP:
    2.79

    Polar Surface Area:
    82.19

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  4. ALA5287533

    Name:
    8-chloro-N-(2-methoxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

    Mol. Formula:
    C17H13ClN2O3

    M.W.:
    328.75

    Type:
    ---

    AlogP:
    3.44

    Polar Surface Area:
    71.19

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  5. ALA5204245

    Name:
    (3S,5S,8R,9S,10S,13R,14S,17R)-3,10,13-Trimethyl-17-((2R,5S)-6,6,6-trifluoroShow More⌵

    Mol. Formula:
    C27H45F3O2

    M.W.:
    458.65

    4  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    7.13

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  6. ALA5203039

    Name:
    3-(2-((Ethyl(4-fluorophenyl)amino)methyl)-4-fluoro-7-oxothieno[2,3-c]pyridiShow More⌵

    Mol. Formula:
    C18H17F2N5O

    M.W.:
    357.36

    4  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    2.71

    Polar Surface Area:
    66.33

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  7. ALA5200422

    Name:
    (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S)-5-Cyclopropyl-5-hydroxyhexan-2-yl)-3Show More⌵

    Mol. Formula:
    C29H48O2

    M.W.:
    428.70

    4  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    6.89

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  8. ALA5199303

    Name:
    3-(2-((Ethyl(4-fluorophenyl)amino)methyl)-5-methyl-7-oxothieno[2,3-c]pyridiShow More⌵

    Mol. Formula:
    C20H20FN3OS

    M.W.:
    369.47

    4  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    4.45

    Polar Surface Area:
    49.03

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  9. ALA5198776

    Name:
    (3S,8S,9S,10R,13R,14S,17R)-3,10,13-Trimethyl-17-((2R,5R)-6,6,6-trifluoro-5-Show More⌵

    Mol. Formula:
    C27H43F3O2

    M.W.:
    456.63

    4  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    7.05

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  10. ALA5198675

    Name:
    (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-Hydroxy-5,6-dimethylheptan-2-yl)-3Show More⌵

    Mol. Formula:
    C29H50O2

    M.W.:
    430.72

    4  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    7.14

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  11. ALA5197411

    Name:
    (3S,8R,9S,10R,13R,14S,17R)-3,13-Dimethyl-17-((2R,5S)-6,6,6-trifluoro-5-hydrShow More⌵

    Mol. Formula:
    C26H41F3O2

    M.W.:
    442.61

    4  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    6.66

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  12. ALA5197314

    Name:
    3-(2-((Ethyl(4-fluorophenyl)amino)methyl)-4-oxothieno[3,2-c]pyridin-5(4H)-yShow More⌵

    Mol. Formula:
    C19H18FN3OS

    M.W.:
    355.44

    4  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    4.14

    Polar Surface Area:
    49.03

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  13. ALA5196694

    Name:
    (3S,8S,9S,10R,13R,14S)-17-((2R,5R)-5-Hydroxy-5-methylnonan-2-yl)-3,10,13-trShow More⌵

    Mol. Formula:
    C30H52O2

    M.W.:
    444.74

    4  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    7.67

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  14. ALA5196482

    Name:
    3-(2-((Ethyl(4-fluorophenyl)amino)methyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)Show More⌵

    Mol. Formula:
    C18H18FN5O

    M.W.:
    339.37

    4  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    2.58

    Polar Surface Area:
    66.33

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  15. ALA5192117

    Name:
    2-(2-((Ethyl(4-fluorophenyl)amino)methyl)-7-oxothieno[2,3-c]pyridin-6(7H)-yShow More⌵

    Mol. Formula:
    C18H16FN3OS

    M.W.:
    341.41

    4  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    3.75

    Polar Surface Area:
    49.03

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  16. ALA5191480

    Name:
    3-(4-Ethyl-2-((ethyl(4-fluorophenyl)amino)methyl)-7-oxothieno[2,3-c]pyridinShow More⌵

    Mol. Formula:
    C21H22FN3OS

    M.W.:
    383.49

    4  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    4.70

    Polar Surface Area:
    49.03

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  17. ALA5189622

    Name:
    (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-Cyclopropyl-5-hydroxyhexan-2-yl)-3Show More⌵

    Mol. Formula:
    C29H48O2

    M.W.:
    428.70

    4  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    6.89

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  18. ALA5189104

    Name:
    3-(2-((Ethyl(4-fluorophenyl)amino)methyl)-4-methyl-7-oxothieno[2,3-c]pyridiShow More⌵

    Mol. Formula:
    C20H20FN3OS

    M.W.:
    369.47

    4  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    4.45

    Polar Surface Area:
    49.03

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  19. ALA5181802

    Name:
    (3S,5R,8R,9S,10S,13R,14S,17R)-3,10,13-Trimethyl-17-((2R,5S)-6,6,6-trifluoroShow More⌵

    Mol. Formula:
    C27H45F3O2

    M.W.:
    458.65

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    7.13

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  20. ALA5178963

    Name:
    (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S)-5-Hydroxy-7-methoxy-5-methylheptan-2Show More⌵

    Mol. Formula:
    C29H50O3

    M.W.:
    446.72

    4  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    6.52

    Polar Surface Area:
    49.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
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