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  1. ALA4097785

    Name:
    3-(17-Ethyl-3,12-dioxo-13-oxa-4,11-diaza-tricyclo[
    Show More

    Mol. Formula:
    C27H28N4O4

    M.W.:
    472.55

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    122.55

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  2. ALA4095879

    Name:
    [(2R,5R)-17,20-Dimethyl-3,12-dioxo-2-(1-oxo-1,2-di
    Show More

    Mol. Formula:
    C31H30N4O6

    M.W.:
    554.60

    Type:
    Small molecule

    AlogP:
    4.73

    Polar Surface Area:
    149.62

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  3. ALA4469308

    Name:
    N-(4-methoxy-2-((5-methylpyridin-2-yl)carbamoyl)ph
    Show More

    Mol. Formula:
    C22H23N5O3S

    M.W.:
    437.53

    Type:
    Unknown

    AlogP:
    3.35

    Polar Surface Area:
    96.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  4. ALA4094405

    Name:
    3-[(R)-4-Methyl-3,12-dioxo-7-(propane-2-sulfonyl)-
    Show More

    Mol. Formula:
    C29H32N4O6S

    M.W.:
    564.66

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    147.90

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  5. ALA4088154

    Name:
    NA

    Mol. Formula:
    C32H32N4O4

    M.W.:
    536.63

    Type:
    Small molecule

    AlogP:
    5.77

    Polar Surface Area:
    103.53

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  6. ALA3986081

    Name:
    US9174974, Example 38

    Mol. Formula:
    C34H36FN5O5

    M.W.:
    613.69

    Type:
    Small molecule

    AlogP:
    5.91

    Polar Surface Area:
    128.04

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  7. ALA4073823

    Name:
    3-(17,20-Diethyl-3,12-dioxo-13-oxa-4,11-diaza-tric
    Show More

    Mol. Formula:
    C29H32N4O4

    M.W.:
    500.60

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    122.55

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  8. ALA4059991

    Name:
    NA

    Mol. Formula:
    C117H160N32O28S3

    M.W.:
    2558.96

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA4077853

    Name:
    (R)-7-Ethanesulfonyl-4-methyl-2-(1-oxo-1,2-dihydro
    Show More

    Mol. Formula:
    C30H30N4O6S

    M.W.:
    574.66

    Type:
    Small molecule

    AlogP:
    4.24

    Polar Surface Area:
    137.67

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. ALA4066874

    Name:
    [(2R,5R)-17,20-Dimethyl-3,12-dioxo-2-(1-oxo-1,2-di
    Show More

    Mol. Formula:
    C33H34N4O6

    M.W.:
    582.66

    Type:
    Small molecule

    AlogP:
    5.21

    Polar Surface Area:
    138.62

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  11. ALA4079760

    Name:
    3-(3,12-Dioxo-13-oxa-4,11-diaza-tricyclo[14.2.2.1(
    Show More

    Mol. Formula:
    C25H24N4O4

    M.W.:
    444.49

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    122.55

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  12. ALA3983744

    Name:
    US9174974, Example 17

    Mol. Formula:
    C33H36FN5O5

    M.W.:
    601.68

    Type:
    Small molecule

    AlogP:
    5.50

    Polar Surface Area:
    139.04

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  13. ALA3979309

    Name:
    US9174974, Example 10

    Mol. Formula:
    C34H34F3N5O5

    M.W.:
    649.67

    Type:
    Small molecule

    AlogP:
    6.57

    Polar Surface Area:
    146.88

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  14. ALA3973659

    Name:
    US9174974, Example 24

    Mol. Formula:
    C33H34FN5O5S

    M.W.:
    631.73

    Type:
    Small molecule

    AlogP:
    5.49

    Polar Surface Area:
    143.72

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  15. ALA3977297

    Name:
    US9174974, Example 33

    Mol. Formula:
    C33H36FN5O5

    M.W.:
    601.68

    Type:
    Small molecule

    AlogP:
    5.50

    Polar Surface Area:
    139.04

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  16. ALA4647759

    Name:
    2-(5-hydroxy-6-phenylpyrimidin-4-yl)-1H-benzo[d]im
    Show More

    Mol. Formula:
    C18H14N6O

    M.W.:
    330.35

    Type:
    Unknown

    AlogP:
    2.68

    Polar Surface Area:
    124.56

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  17. ALA4441346

    Name:
    N-(2-((5-chloropyridin-2-yl)carbamoyl)-4-methoxyph
    Show More

    Mol. Formula:
    C21H20ClN5O3S

    M.W.:
    457.94

    Type:
    Unknown

    AlogP:
    3.69

    Polar Surface Area:
    96.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  18. ALA4114547

    Name:
    US9174974, Comparator 3

    Mol. Formula:
    C31H33N5O5S

    M.W.:
    587.70

    Type:
    Small molecule

    AlogP:
    4.80

    Polar Surface Area:
    152.51

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  19. ALA4113473

    Name:
    US9174974, Example 4

    Mol. Formula:
    C37H37F2N7O4S

    M.W.:
    713.81

    Type:
    Small molecule

    AlogP:
    7.02

    Polar Surface Area:
    142.78

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  20. ALA4110036

    Name:
    US9174974, Comparator 1

    Mol. Formula:
    C31H32FN5O5S

    M.W.:
    605.69

    Type:
    Small molecule

    AlogP:
    5.05

    Polar Surface Area:
    143.72

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
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