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  1. ALA4285090

    Name:
    (2R,3S)-3-((S)-2-((S)-2-acetamido-3-(1-(8-phenyloctyl)-1H-imidazol-5-yl)proShow More

    Mol. Formula:
    C29H45N6O9P

    M.W.:
    652.69

    Type:
    Small molecule

    AlogP:
    0.46

    Polar Surface Area:
    235.20

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  2. ALA3629605

    Name:
    5-methyl-5H-indeno[2,1-b]quinoline-6,11-dione

    Mol. Formula:
    C17H11NO2

    M.W.:
    261.28

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    39.07

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.49

    DETAILS
  3. ALA2407919

    Name:
    (E)-N-(3-((1H-Indazol-6-yl)methylene)-2-oxoindolin-6-yl)-acetamide

    Mol. Formula:
    C18H14N4O2

    M.W.:
    318.34

    Type:
    Small molecule

    AlogP:
    3.01

    Polar Surface Area:
    86.88

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  4. ALA2407918

    Name:
    (E)-N-(3-((1H-Indazol-6-yl)methylene)-2-oxoindolin-5-yl)-acetamide

    Mol. Formula:
    C18H14N4O2

    M.W.:
    318.34

    Type:
    Small molecule

    AlogP:
    3.01

    Polar Surface Area:
    86.88

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  5. ALA2407917

    Name:
    (E)-3-((1H-Indazol-6-yl)methylene)-N-methyl-2-oxoindoline-5-carboxamide

    Mol. Formula:
    C18H14N4O2

    M.W.:
    318.34

    Type:
    Small molecule

    AlogP:
    2.42

    Polar Surface Area:
    86.88

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  6. ALA2407916

    Name:
    (E/Z)-3-((1H-Indazol-6-yl)methylene)-5-methoxyindolin-2-one

    Mol. Formula:
    C17H13N3O2

    M.W.:
    291.31

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    67.01

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  7. ALA2407915

    Name:
    (E)-3-((1H-Indazol-6-yl)methylene)-6-chloroindolin-2-one

    Mol. Formula:
    C16H10ClN3O

    M.W.:
    295.73

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    57.78

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  8. ALA2407914

    Name:
    (E)-3-((1H-Indazol-6-yl)methylene)-5-chloroindolin-2-one

    Mol. Formula:
    C16H10ClN3O

    M.W.:
    295.73

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    57.78

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  9. ALA2407913

    Name:
    (Z)-3-((1H-Indazol-6-yl)methylene)-5-fluoroindolin-2-one

    Mol. Formula:
    C16H10FN3O

    M.W.:
    279.27

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    57.78

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  10. ALA2407910

    Name:
    (E/Z)-3-((1H-Indazol-5-yl)methylene)indolin-2-one

    Mol. Formula:
    C16H11N3O

    M.W.:
    261.28

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    57.78

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  11. ALA2407909

    Name:
    (E)-3-((1H-Benzo[d][1,2,3]triazol-5-yl)methylene)indolin-2-one

    Mol. Formula:
    C15H10N4O

    M.W.:
    262.27

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    70.67

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  12. ALA2380764

    Name:
    (R)-1-((3S,6S,9S,12S,15S)-19-(6-(2-(1-acetyl-1H-indol-3-yl)ethylamino)-6-oxShow More

    Mol. Formula:
    C58H84N11O14PS

    M.W.:
    1222.41

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA2380660

    Name:
    (R)-1-((3S,6S,9S,12S,15S)-12-((1H-imidazol-4-yl)methyl)-19-(6-(2-(1-acetyl-Show More

    Mol. Formula:
    C44H64N11O14PS

    M.W.:
    1034.10

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA2007138

    Name:
    SID103904460

    Mol. Formula:
    C10H7ClN2O2

    M.W.:
    222.63

    Type:
    Small molecule

    AlogP:
    1.21

    Polar Surface Area:
    58.20

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.74

    DETAILS
  15. ALA2004072

    Name:
    SID103905052

    Mol. Formula:
    C15H10FNO2S

    M.W.:
    287.31

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    39.19

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  16. ALA2001751

    Name:
    SID103904754

    Mol. Formula:
    C29H24N4O3

    M.W.:
    476.54

    Type:
    Small molecule

    AlogP:
    5.26

    Polar Surface Area:
    106.17

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  17. ALA2000433

    Name:
    SID103905303

    Mol. Formula:
    C15H15N5

    M.W.:
    265.32

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    65.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  18. ALA2000104

    Name:
    SID103905051

    Mol. Formula:
    C16H14N2O3S2

    M.W.:
    346.43

    Type:
    Small molecule

    AlogP:
    2.86

    Polar Surface Area:
    90.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  19. ALA1999774

    Name:
    SID103905288

    Mol. Formula:
    C15H17ClN4O3

    M.W.:
    336.78

    Type:
    Small molecule

    AlogP:
    1.37

    Polar Surface Area:
    112.31

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  20. ALA1998975

    Name:
    SID103904620

    Mol. Formula:
    C9H9N3S

    M.W.:
    191.26

    Type:
    Small molecule

    AlogP:
    2.47

    Polar Surface Area:
    50.94

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
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