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  1. ALA3986859

    Name:
    US9139529, 39

    Mol. Formula:
    C20H13FN4O6

    M.W.:
    424.34

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    136.67

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  2. ALA3983681

    Name:
    US9139529, 45

    Mol. Formula:
    C23H16FN7O3

    M.W.:
    457.43

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    127.80

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  3. ALA3983371

    Name:
    US9139529, 62

    Mol. Formula:
    C23H18FN3O5S

    M.W.:
    467.48

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    120.61

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  4. ALA3978598

    Name:
    US9139529, 37

    Mol. Formula:
    C20H13FN4O5S

    M.W.:
    440.41

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    123.53

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  5. ALA3977123

    Name:
    US9163042, 2

    Mol. Formula:
    C22H17F6N2O8P

    M.W.:
    582.35

    Type:
    Small molecule

    AlogP:
    4.76

    Polar Surface Area:
    136.32

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  6. ALA3974970

    Name:
    US9139529, 12

    Mol. Formula:
    C22H17FN4O5S

    M.W.:
    468.47

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    133.50

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  7. ALA3973953

    Name:
    US9139529, 46

    Mol. Formula:
    C23H18FN3O5S

    M.W.:
    467.48

    Type:
    Small molecule

    AlogP:
    4.23

    Polar Surface Area:
    107.48

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  8. ALA3973225

    Name:
    US9139529, 74

    Mol. Formula:
    C23H17F2N3O5S

    M.W.:
    485.47

    Type:
    Small molecule

    AlogP:
    4.53

    Polar Surface Area:
    120.61

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  9. ALA3971232

    Name:
    US9139529, 1

    Mol. Formula:
    C21H15FN4O4S

    M.W.:
    438.44

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    124.27

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  10. ALA3970375

    Name:
    US9139529, 42

    Mol. Formula:
    C22H15FN6O3

    M.W.:
    430.40

    Type:
    Small molecule

    AlogP:
    4.09

    Polar Surface Area:
    114.91

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  11. ALA3970023

    Name:
    US9139529, 13

    Mol. Formula:
    C21H16N4O4S

    M.W.:
    420.45

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    124.27

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  12. ALA3969972

    Name:
    US9139529, 33

    Mol. Formula:
    C22H13F3N4O5

    M.W.:
    470.36

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    123.53

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  13. ALA3968604

    Name:
    US9163042, 10

    Mol. Formula:
    C21H17F4N2O7P

    M.W.:
    516.34

    Type:
    Small molecule

    AlogP:
    4.43

    Polar Surface Area:
    127.09

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  14. ALA3967862

    Name:
    US9139529, 80

    Mol. Formula:
    C22H13F2N3O4

    M.W.:
    421.36

    Type:
    Small molecule

    AlogP:
    4.65

    Polar Surface Area:
    101.41

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  15. ALA3966372

    Name:
    US9139529, 44

    Mol. Formula:
    C24H18FN5O4

    M.W.:
    459.44

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    122.25

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  16. ALA3965855

    Name:
    US9139529, 58

    Mol. Formula:
    C23H17FN4O4

    M.W.:
    432.41

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    116.43

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  17. ALA3965344

    Name:
    US9139529, 23

    Mol. Formula:
    C22H15ClN4O5

    M.W.:
    450.84

    Type:
    Small molecule

    AlogP:
    4.43

    Polar Surface Area:
    123.53

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  18. ALA3964266

    Name:
    US9139529, 63

    Mol. Formula:
    C23H18FN3O4S

    M.W.:
    451.48

    Type:
    Small molecule

    AlogP:
    4.37

    Polar Surface Area:
    111.38

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  19. ALA3964079

    Name:
    US9139529, 61

    Mol. Formula:
    C23H18FN3O5S

    M.W.:
    467.48

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    120.61

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA3962886

    Name:
    US9139529, 32

    Mol. Formula:
    C22H15FN4O5

    M.W.:
    434.38

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    123.53

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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