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  1. ALA3753280

    Name:
    (2Z,4E)-2-(5-methoxy-1H-indol-3-yl)-5-(pyridin-3-yl)penta-2,4-dienenitrile

    Mol. Formula:
    C19H15N3O

    M.W.:
    301.35

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    61.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  2. ALA3752665

    Name:
    (E)-3-(5-methoxy-1H-indol-3-yl)-4-(pyridin-3-yl)-but-2-enenitrile

    Mol. Formula:
    C18H15N3O

    M.W.:
    289.34

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    61.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  3. ALA3754437

    Name:
    (E)-2-(5-methoxy-1H-indol-3-carbonyl)-3-pyridin-3-yl-acrylonitrile

    Mol. Formula:
    C18H13N3O2

    M.W.:
    303.32

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    78.77

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  4. ALA3752091

    Name:
    2-(5-methoxy-1H-indol-3-yl)-2-(pyridin-3-yl)acetonitrile

    Mol. Formula:
    C16H13N3O

    M.W.:
    263.30

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    61.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  5. ALA3754004

    Name:
    2-(1H-indol-3-yl)-3-pyridin-3-yl-propionitrile

    Mol. Formula:
    C16H13N3

    M.W.:
    247.30

    Type:
    Small molecule

    AlogP:
    3.41

    Polar Surface Area:
    52.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  6. ALA3753648

    Name:
    (Z)-3-(1H-indol-3-yl)-2-pyridin-3-yl-acrylonitrile

    Mol. Formula:
    C16H11N3

    M.W.:
    245.28

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    52.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  7. ALA3751920

    Name:
    (Z)-2-(1-acetyl-5-methoxy-1H-indol-3-yl)-3-pyridin-3-yl-acrylonitrile

    Mol. Formula:
    C19H15N3O2

    M.W.:
    317.35

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    67.91

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  8. ALA3754251

    Name:
    (Z)-2-(5-methoxy-1-methyl-1H-indol-3-yl)-3-pyridin-3-yl-acrylonitrile

    Mol. Formula:
    C18H15N3O

    M.W.:
    289.34

    Type:
    Small molecule

    AlogP:
    3.65

    Polar Surface Area:
    50.84

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  9. ALA3753423

    Name:
    (Z)-3-(pyridin-3-yl)-2-[2-(thiophen-3-yl)-1H-indol-3-yl]-acrylonitrile

    Mol. Formula:
    C20H13N3S

    M.W.:
    327.41

    Type:
    Small molecule

    AlogP:
    5.36

    Polar Surface Area:
    52.47

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  10. ALA3752493

    Name:
    (Z)-2-(2-phenyl-1H-indol-3-yl)-3-(pyridin-3-yl)-acrylonitrile

    Mol. Formula:
    C22H15N3

    M.W.:
    321.38

    Type:
    Small molecule

    AlogP:
    5.29

    Polar Surface Area:
    52.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  11. ALA3752183

    Name:
    (Z)-2-(5-methoxy-2-methyl-1H-indol-3-yl)-3-pyridin-3-yl-acrylonitrile

    Mol. Formula:
    C18H15N3O

    M.W.:
    289.34

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    61.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  12. ALA3753668

    Name:
    (Z)-3-(pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-acrylonitrile

    Mol. Formula:
    C15H10N4

    M.W.:
    246.27

    Type:
    Small molecule

    AlogP:
    3.02

    Polar Surface Area:
    65.36

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  13. ALA3751934

    Name:
    (Z)-2-(7-methoxy-1H-indol-3-yl)-3-pyridin-3-yl-acrylonitrile

    Mol. Formula:
    C17H13N3O

    M.W.:
    275.31

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    61.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  14. ALA3753782

    Name:
    (Z)-2-(4-methoxy-1H-indol-3-yl)-3-pyridin-3-yl-acrylonitrile

    Mol. Formula:
    C17H13N3O

    M.W.:
    275.31

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    61.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  15. ALA3753970

    Name:
    (Z)-2-(6-methoxy-1H-indol-3-yl)-3-pyridin-3-yl-acrylonitrile

    Mol. Formula:
    C17H13N3O

    M.W.:
    275.31

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    61.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  16. ALA3753380

    Name:
    (Z)-2-(5-benzyloxy-1H-indol-3-yl)-3-pyridin-3-yl-acrylonitrile

    Mol. Formula:
    C23H17N3O

    M.W.:
    351.41

    Type:
    Small molecule

    AlogP:
    5.21

    Polar Surface Area:
    61.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  17. ALA3754608

    Name:
    (Z)-2-(5-methoxy-1H-indol-3-yl)-3-pyridin-3-yl-acrylonitrile

    Mol. Formula:
    C17H13N3O

    M.W.:
    275.31

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    61.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  18. ALA3752442

    Name:
    (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(1H-indol-3-yl)-acrylonitrile

    Mol. Formula:
    C19H16N2O3

    M.W.:
    320.35

    Type:
    Small molecule

    AlogP:
    3.95

    Polar Surface Area:
    78.27

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  19. ALA3753464

    Name:
    (Z)-2-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-acrylonitrile

    Mol. Formula:
    C20H18N2O3

    M.W.:
    334.38

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    67.27

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  20. ALA3753378

    Name:
    (Z)-2-(1H-indol-3-yl)-3-(2,4,6-trimethoxyphenyl)-acrylonitrile

    Mol. Formula:
    C20H18N2O3

    M.W.:
    334.38

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    67.27

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
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