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  1. ALA3214239

    Name:
    SID3713263

    Mol. Formula:
    C8H8N2O2

    M.W.:
    164.16

    Type:
    Small molecule

    AlogP:
    1.09

    Polar Surface Area:
    61.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  2. ALA3213473

    Name:
    SID26663262

    Mol. Formula:
    C12H17N3O3

    M.W.:
    251.29

    Type:
    Small molecule

    AlogP:
    1.49

    Polar Surface Area:
    85.94

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  3. ALA3212727

    Name:
    SID4246900

    Mol. Formula:
    C11H13NO3

    M.W.:
    207.23

    Type:
    Small molecule

    AlogP:
    2.05

    Polar Surface Area:
    51.05

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. ALA3212631

    Name:
    SID17408225

    Mol. Formula:
    C17H16Cl2N2O

    M.W.:
    335.23

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    24.83

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  5. ALA3212319

    Name:
    SID17403185

    Mol. Formula:
    C19H19N3O4S

    M.W.:
    385.45

    Type:
    Small molecule

    AlogP:
    2.24

    Polar Surface Area:
    80.23

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  6. ALA3212123

    Name:
    SID26660898

    Mol. Formula:
    C16H27NO2

    M.W.:
    265.40

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    46.17

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  7. ALA3211526

    Name:
    SID3717983

    Mol. Formula:
    C13H14F6N2O4

    M.W.:
    376.25

    Type:
    Small molecule

    AlogP:
    2.99

    Polar Surface Area:
    75.27

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  8. ALA3211333

    Name:
    SID4244472

    Mol. Formula:
    C20H22N6O

    M.W.:
    362.44

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    75.41

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  9. ALA3211106

    Name:
    SID14724270

    Mol. Formula:
    C24H25NO5

    M.W.:
    407.47

    Type:
    Small molecule

    AlogP:
    4.80

    Polar Surface Area:
    89.10

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  10. ALA3210867

    Name:
    SID26670952

    Mol. Formula:
    C14H13N7O3

    M.W.:
    327.30

    Type:
    Small molecule

    AlogP:
    1.32

    Polar Surface Area:
    113.26

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  11. ALA3210399

    Name:
    SID7972737

    Mol. Formula:
    C12H15N3O

    M.W.:
    217.27

    Type:
    Small molecule

    AlogP:
    1.87

    Polar Surface Area:
    58.37

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  12. ALA3209894

    Name:
    SID26660624

    Mol. Formula:
    C13H13N3O3S

    M.W.:
    291.33

    Type:
    Small molecule

    AlogP:
    1.61

    Polar Surface Area:
    83.70

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  13. ALA3208802

    Name:
    SID26663342

    Mol. Formula:
    C19H15N5O

    M.W.:
    329.36

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    75.93

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  14. ALA3207609

    Name:
    SID26660610

    Mol. Formula:
    C24H15N7O

    M.W.:
    417.43

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    90.85

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  15. ALA3207416

    Name:
    SID7973747

    Mol. Formula:
    C8H10N2O3S2

    M.W.:
    246.31

    Type:
    Small molecule

    AlogP:
    1.02

    Polar Surface Area:
    78.76

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  16. ALA3198807

    Name:
    SID26658451

    Mol. Formula:
    C24H23N3O7S

    M.W.:
    497.53

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    134.60

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  17. ALA3198690

    Name:
    SID26728116

    Mol. Formula:
    C15H16F3NO4

    M.W.:
    331.29

    Type:
    Small molecule

    AlogP:
    3.78

    Polar Surface Area:
    68.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  18. ALA3198608

    Name:
    SID26661633

    Mol. Formula:
    C19H22N4O2

    M.W.:
    338.41

    Type:
    Small molecule

    AlogP:
    1.91

    Polar Surface Area:
    66.82

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  19. ALA3196219

    Name:
    SID26658368

    Mol. Formula:
    C18H16N6O2S

    M.W.:
    380.43

    Type:
    Small molecule

    AlogP:
    2.19

    Polar Surface Area:
    109.23

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  20. ALA3195226

    Name:
    SID26658597

    Mol. Formula:
    C17H17N7O2

    M.W.:
    351.37

    Type:
    Small molecule

    AlogP:
    2.94

    Polar Surface Area:
    111.13

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
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