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  1. ALA3856087

    Name:
    SID14744845

    Mol. Formula:
    C16H14N6O4

    M.W.:
    354.33

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    140.90

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  2. ALA3214582

    Name:
    SID49823674

    Mol. Formula:
    C14H12BrN3O

    M.W.:
    318.17

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    54.35

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  3. ALA3214498

    Name:
    SID17412607

    Mol. Formula:
    C13H14FN3O2

    M.W.:
    263.27

    Type:
    Small molecule

    AlogP:
    0.97

    Polar Surface Area:
    70.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  4. ALA3214483

    Name:
    SID17411611

    Mol. Formula:
    C18H15NO4

    M.W.:
    309.32

    Type:
    Small molecule

    AlogP:
    4.54

    Polar Surface Area:
    64.19

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  5. ALA3214428

    Name:
    SID49824122

    Mol. Formula:
    C20H15FN2O

    M.W.:
    318.35

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    41.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  6. ALA3214419

    Name:
    SID24828604

    Mol. Formula:
    C16H21N3O

    M.W.:
    271.36

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    53.49

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  7. ALA3214404

    Name:
    SID47202486

    Mol. Formula:
    C13H11N3O2

    M.W.:
    241.25

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    67.53

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  8. ALA3214328

    Name:
    SID24833335

    Mol. Formula:
    C13H12N2O4

    M.W.:
    260.25

    Type:
    Small molecule

    AlogP:
    0.87

    Polar Surface Area:
    113.41

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  9. ALA3214189

    Name:
    SID26658854

    Mol. Formula:
    C15H12ClN5

    M.W.:
    297.75

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    63.06

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  10. ALA3214003

    Name:
    SID24831652

    Mol. Formula:
    C15H17N3O3S

    M.W.:
    319.39

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    77.50

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  11. ALA3213975

    Name:
    SID26726335

    Mol. Formula:
    C17H16ClN3O3

    M.W.:
    345.79

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    94.81

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  12. ALA3213689

    Name:
    SID49642650

    Mol. Formula:
    C16H19NO2

    M.W.:
    257.33

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    49.66

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  13. ALA3213688

    Name:
    SID51085388

    Mol. Formula:
    C16H14N2O3S2

    M.W.:
    346.43

    Type:
    Small molecule

    AlogP:
    2.14

    Polar Surface Area:
    68.50

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  14. ALA3213632

    Name:
    SID26667292

    Mol. Formula:
    C18H18N4O

    M.W.:
    306.37

    Type:
    Small molecule

    AlogP:
    3.21

    Polar Surface Area:
    63.30

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  15. ALA3213499

    Name:
    SID17412749

    Mol. Formula:
    C19H21N3

    M.W.:
    291.40

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    18.84

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  16. ALA3213352

    Name:
    SID49820288

    Mol. Formula:
    C20H20N10O2

    M.W.:
    432.45

    Type:
    Small molecule

    AlogP:
    1.42

    Polar Surface Area:
    153.24

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  17. ALA3213262

    Name:
    SID49822006

    Mol. Formula:
    C15H10BrClN2O3

    M.W.:
    381.61

    Type:
    Small molecule

    AlogP:
    3.60

    Polar Surface Area:
    59.92

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  18. ALA3213195

    Name:
    SID24823284

    Mol. Formula:
    C14H13BrN4O2

    M.W.:
    349.19

    Type:
    Small molecule

    AlogP:
    1.66

    Polar Surface Area:
    86.35

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  19. ALA3213080

    Name:
    SID49643059

    Mol. Formula:
    C13H11N3O2

    M.W.:
    241.25

    Type:
    Small molecule

    AlogP:
    1.55

    Polar Surface Area:
    74.58

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  20. ALA3213053

    Name:
    SID17503955

    Mol. Formula:
    C20H18ClN3O5S

    M.W.:
    447.90

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    109.58

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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