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  1. ALA4108576

    Name:
    US9162991, 15p

    Mol. Formula:
    C30H23N3O4

    M.W.:
    489.53

    Type:
    Small molecule

    AlogP:
    6.37

    Polar Surface Area:
    79.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  2. ALA3983514

    Name:
    US9162991, 4o

    Mol. Formula:
    C11H8N4O3

    M.W.:
    244.21

    Type:
    Small molecule

    AlogP:
    1.61

    Polar Surface Area:
    101.78

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  3. ALA3983505

    Name:
    US9162991, 20a

    Mol. Formula:
    C13H15NO4

    M.W.:
    249.27

    Type:
    Small molecule

    AlogP:
    2.95

    Polar Surface Area:
    69.44

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  4. ALA3980243

    Name:
    US9162991, 14l

    Mol. Formula:
    C15H10ClN3O2

    M.W.:
    299.72

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    61.83

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  5. ALA3979319

    Name:
    US9162991, 15i

    Mol. Formula:
    C16H13N3O

    M.W.:
    263.30

    Type:
    Small molecule

    AlogP:
    3.09

    Polar Surface Area:
    47.78

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  6. ALA3977914

    Name:
    US9162991, 16a

    Mol. Formula:
    C14H9N5O4

    M.W.:
    311.26

    Type:
    Small molecule

    AlogP:
    1.33

    Polar Surface Area:
    117.86

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  7. ALA3974183

    Name:
    US9162991, 4m

    Mol. Formula:
    C14H11N7O3

    M.W.:
    325.29

    Type:
    Small molecule

    AlogP:
    1.25

    Polar Surface Area:
    132.49

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  8. ALA3973323

    Name:
    US9162991, 15j

    Mol. Formula:
    C15H11N3O

    M.W.:
    249.27

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    47.78

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  9. ALA3970044

    Name:
    US9162991, 4f

    Mol. Formula:
    C18H20N4O3

    M.W.:
    340.38

    Type:
    Small molecule

    AlogP:
    3.66

    Polar Surface Area:
    90.92

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  10. ALA3967650

    Name:
    US9162991, 15g

    Mol. Formula:
    C16H13N3O

    M.W.:
    263.30

    Type:
    Small molecule

    AlogP:
    3.09

    Polar Surface Area:
    47.78

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  11. ALA3961578

    Name:
    US9162991, 4k

    Mol. Formula:
    C19H16N4O3

    M.W.:
    348.36

    Type:
    Small molecule

    AlogP:
    3.69

    Polar Surface Area:
    90.92

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  12. ALA3961439

    Name:
    US9162991, 26a

    Mol. Formula:
    C21H16N2O3

    M.W.:
    344.37

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    63.45

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  13. ALA3960170

    Name:
    US9162991, 14c

    Mol. Formula:
    C15H10N4O4

    M.W.:
    310.27

    Type:
    Small molecule

    AlogP:
    1.93

    Polar Surface Area:
    104.97

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  14. ALA3958950

    Name:
    US9162991, 4i

    Mol. Formula:
    C18H9F5N4O3

    M.W.:
    424.29

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    90.92

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  15. ALA3957901

    Name:
    US9162991, 4j

    Mol. Formula:
    C20H12F6N4O3

    M.W.:
    470.33

    Type:
    Small molecule

    AlogP:
    5.17

    Polar Surface Area:
    90.92

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  16. ALA3951061

    Name:
    US9162991, 27a

    Mol. Formula:
    C17H16N2O3

    M.W.:
    296.33

    Type:
    Small molecule

    AlogP:
    3.27

    Polar Surface Area:
    63.45

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  17. ALA3945796

    Name:
    US9162991, 29a

    Mol. Formula:
    C13H14N2O4

    M.W.:
    262.26

    Type:
    Small molecule

    AlogP:
    1.81

    Polar Surface Area:
    72.68

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  18. ALA3943803

    Name:
    US9162991, 15k

    Mol. Formula:
    C15H10ClN3O

    M.W.:
    283.72

    Type:
    Small molecule

    AlogP:
    3.44

    Polar Surface Area:
    47.78

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  19. ALA3942712

    Name:
    US9162991, 32a

    Mol. Formula:
    C14H10N4O4

    M.W.:
    298.26

    Type:
    Small molecule

    AlogP:
    2.06

    Polar Surface Area:
    100.15

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  20. ALA3937082

    Name:
    US9162991, 19a

    Mol. Formula:
    C16H13NO4

    M.W.:
    283.28

    Type:
    Small molecule

    AlogP:
    3.35

    Polar Surface Area:
    69.44

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
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