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  1. ALA4779454

    Name:
    3-(5-(2-oxoindolin-5-yl)-1H-pyrazol-1-yl)benzonitr
    Show More

    Mol. Formula:
    C18H12N4O

    M.W.:
    300.32

    Type:
    Unknown

    AlogP:
    2.91

    Polar Surface Area:
    70.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  2. ALA4784663

    Name:
    5-(1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl)indolin-
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    Mol. Formula:
    C17H11Cl2N3O

    M.W.:
    344.20

    Type:
    Unknown

    AlogP:
    4.34

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  3. ALA4784019

    Name:
    5-(2,2'-bithiophen-5-yl)-3-((4-((2-(diethylamino)e
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    Mol. Formula:
    C30H34N4OS2

    M.W.:
    530.76

    Type:
    Unknown

    AlogP:
    7.01

    Polar Surface Area:
    60.16

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  4. ALA4782977

    Name:
    N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-oxo-5
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    Mol. Formula:
    C32H33N3O2S2

    M.W.:
    555.77

    Type:
    Unknown

    AlogP:
    7.32

    Polar Surface Area:
    61.44

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  5. ALA4795138

    Name:
    3-((4-((2-(diethylamino)ethylamino)methyl)-3,5-dim
    Show More

    Mol. Formula:
    C31H35N5OS

    M.W.:
    525.72

    Type:
    Unknown

    AlogP:
    6.35

    Polar Surface Area:
    73.05

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  6. ALA4793941

    Name:
    N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-oxo-6
    Show More

    Mol. Formula:
    C30H32N6O3

    M.W.:
    524.63

    Type:
    Unknown

    AlogP:
    4.10

    Polar Surface Area:
    122.98

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  7. ALA5280826

    Name:
    (3S,3'R,4'S,5'R)-5'-benzyl-5''-((E)-benzylidene)-4
    Show More

    Mol. Formula:
    C43H37N3O2

    M.W.:
    627.79

    Type:
    ---

    AlogP:
    7.46

    Polar Surface Area:
    61.44

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  8. ALA4797781

    Name:
    NA

    Mol. Formula:
    C67H72N8O9

    M.W.:
    1133.36

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA3747014

    Name:
    2-(5-(2-(1-(2-Methoxyethyl)-1H-indol-3-yl)-2-oxoac
    Show More

    Mol. Formula:
    C20H19N3O6

    M.W.:
    397.39

    Type:
    Small molecule

    AlogP:
    1.97

    Polar Surface Area:
    119.75

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  10. ALA3746311

    Name:
    Ethyl 2-(5-(2-(1-(2-methoxyethyl)-1H-indol-3-yl)-2
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    Mol. Formula:
    C22H23N3O6

    M.W.:
    425.44

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    108.75

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  11. ALA3746300

    Name:
    3-(3-(2-(6-Methoxypyridin-3-ylamino)-2-oxoacetyl)-
    Show More

    Mol. Formula:
    C19H17N3O5

    M.W.:
    367.36

    Type:
    Small molecule

    AlogP:
    2.34

    Polar Surface Area:
    110.52

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  12. ALA3746719

    Name:
    Methyl 3-(3-(2-(6-methoxypyridin-3-ylamino)-2-oxoa
    Show More

    Mol. Formula:
    C20H19N3O5

    M.W.:
    381.39

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    99.52

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  13. ALA3746781

    Name:
    2-(2-(3-(2-(6-Methoxypyridin-3-ylamino)-2-oxoacety
    Show More

    Mol. Formula:
    C22H23N3O6

    M.W.:
    425.44

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    119.75

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  14. ALA3746106

    Name:
    N-(6-tert-Butoxypyridin-3-yl)-2-(1-(2-methoxyethyl
    Show More

    Mol. Formula:
    C22H25N3O4

    M.W.:
    395.46

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    82.45

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  15. ALA3747282

    Name:
    2-(3-(2-Methoxyethyl)indolizin-1-yl)-2-oxo-N-(4-(t
    Show More

    Mol. Formula:
    C20H17F3N2O4

    M.W.:
    406.36

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    69.04

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  16. ALA3745840

    Name:
    2-(3-Ethylindolizin-1-yl)-N-(6-methoxypyridin-3-yl
    Show More

    Mol. Formula:
    C18H17N3O3

    M.W.:
    323.35

    Type:
    Small molecule

    AlogP:
    2.73

    Polar Surface Area:
    72.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  17. ALA3746996

    Name:
    2-(1-(2-Methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-y
    Show More

    Mol. Formula:
    C18H18N4O4

    M.W.:
    354.37

    Type:
    Small molecule

    AlogP:
    1.91

    Polar Surface Area:
    95.34

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  18. ALA3747204

    Name:
    2-(1-Isopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(6
    Show More

    Mol. Formula:
    C18H18N4O3

    M.W.:
    338.37

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    86.11

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  19. ALA3747772

    Name:
    2-(1-Isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(6
    Show More

    Mol. Formula:
    C18H18N4O3

    M.W.:
    338.37

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    86.11

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  20. ALA3747746

    Name:
    2-(1-Isopropyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N-(6
    Show More

    Mol. Formula:
    C18H18N4O3

    M.W.:
    338.37

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    86.11

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
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