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  1. ALA2369355

    Name:
    SID89854593

    Mol. Formula:
    C16H16N6

    M.W.:
    292.35

    Type:
    Small molecule

    AlogP:
    2.19

    Polar Surface Area:
    96.48

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  2. ALA2068747

    Name:
    SID124895953

    Mol. Formula:
    C21H20N2O2

    M.W.:
    332.40

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    53.02

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  3. ALA2007450

    Name:
    SID99494680

    Mol. Formula:
    C23H21N3O3

    M.W.:
    387.44

    Type:
    Small molecule

    AlogP:
    2.86

    Polar Surface Area:
    94.31

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  4. ALA2007249

    Name:
    SID99360605

    Mol. Formula:
    C21H16Cl2N2

    M.W.:
    367.28

    Type:
    Small molecule

    AlogP:
    6.21

    Polar Surface Area:
    17.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  5. ALA2007229

    Name:
    SID47194736

    Mol. Formula:
    C18H19FN2O3S

    M.W.:
    362.43

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    57.69

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  6. ALA2006809

    Name:
    SID85198607

    Mol. Formula:
    C19H18N4O5S

    M.W.:
    414.44

    Type:
    Small molecule

    AlogP:
    0.65

    Polar Surface Area:
    128.60

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  7. ALA2006516

    Name:
    SID24410542

    Mol. Formula:
    C15H10ClFN2O3S

    M.W.:
    352.77

    Type:
    Small molecule

    AlogP:
    3.12

    Polar Surface Area:
    79.03

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  8. ALA2005605

    Name:
    SID57265074

    Mol. Formula:
    C22H26N4O6S

    M.W.:
    474.54

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    125.12

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  9. ALA2005460

    Name:
    SID99494873

    Mol. Formula:
    C27H30N4O4

    M.W.:
    474.56

    Type:
    Small molecule

    AlogP:
    4.71

    Polar Surface Area:
    77.33

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  10. ALA2005199

    Name:
    SID103076410

    Mol. Formula:
    C24H23N3O4

    M.W.:
    417.47

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    89.55

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  11. ALA2004983

    Name:
    SID103162826

    Mol. Formula:
    C16H14ClN3OS

    M.W.:
    331.83

    Type:
    Small molecule

    AlogP:
    3.91

    Polar Surface Area:
    46.92

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  12. ALA2004908

    Name:
    SID85271556

    Mol. Formula:
    C19H24N2O2S

    M.W.:
    344.48

    Type:
    Small molecule

    AlogP:
    4.09

    Polar Surface Area:
    51.22

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  13. ALA2004451

    Name:
    SID51089766

    Mol. Formula:
    C15H13N3O2S

    M.W.:
    299.36

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    63.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  14. ALA2004445

    Name:
    SID103074745

    Mol. Formula:
    C25H24N4O2

    M.W.:
    412.49

    Type:
    Small molecule

    AlogP:
    4.38

    Polar Surface Area:
    68.06

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  15. ALA2004218

    Name:
    SID24388613

    Mol. Formula:
    C28H34FN5O2

    M.W.:
    491.61

    Type:
    Small molecule

    AlogP:
    4.17

    Polar Surface Area:
    72.16

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  16. ALA2004169

    Name:
    SID24404254

    Mol. Formula:
    C23H20FN7O2S

    M.W.:
    477.53

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    109.97

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  17. ALA2003979

    Name:
    SID103076219

    Mol. Formula:
    C21H21N3O4

    M.W.:
    379.42

    Type:
    Small molecule

    AlogP:
    4.25

    Polar Surface Area:
    85.04

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  18. ALA2003865

    Name:
    SID24385566

    Mol. Formula:
    C23H22N4O

    M.W.:
    370.46

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    59.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  19. ALA2003788

    Name:
    SID103075557

    Mol. Formula:
    C22H21N3O4

    M.W.:
    391.43

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    93.46

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  20. ALA2003772

    Name:
    SID26663507

    Mol. Formula:
    C21H21N3O4

    M.W.:
    379.42

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    96.57

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
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