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  1. ALA3213435

    Name:
    SID14741195

    Mol. Formula:
    C24H28N4O2

    M.W.:
    404.51

    Type:
    Small molecule

    AlogP:
    3.45

    Polar Surface Area:
    68.93

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  2. ALA3212322

    Name:
    SID49819931

    Mol. Formula:
    C17H14N8O3S

    M.W.:
    410.42

    Type:
    Small molecule

    AlogP:
    1.82

    Polar Surface Area:
    157.34

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  3. ALA3211556

    Name:
    SID862864

    Mol. Formula:
    C26H32N4O4

    M.W.:
    464.57

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    87.39

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  4. ALA3211410

    Name:
    SID49823131

    Mol. Formula:
    C15H16N2O3S2

    M.W.:
    336.44

    Type:
    Small molecule

    AlogP:
    1.70

    Polar Surface Area:
    66.81

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  5. ALA3208527

    Name:
    SID22409875

    Mol. Formula:
    C22H19N3O5S

    M.W.:
    437.48

    Type:
    Small molecule

    AlogP:
    0.86

    Polar Surface Area:
    114.33

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  6. ALA3192454

    Name:
    SID47203147

    Mol. Formula:
    C13H8ClN5O3

    M.W.:
    317.69

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    99.35

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  7. ALA3191123

    Name:
    SID24822286

    Mol. Formula:
    C9H14N4O2

    M.W.:
    210.24

    Type:
    Small molecule

    AlogP:
    0.09

    Polar Surface Area:
    73.74

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  8. ALA3191029

    Name:
    SID24808117

    Mol. Formula:
    C14H13N5O2

    M.W.:
    283.29

    Type:
    Small molecule

    AlogP:
    0.24

    Polar Surface Area:
    96.34

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  9. ALA3189823

    Name:
    SID49673149

    Mol. Formula:
    C13H11N3O4

    M.W.:
    273.25

    Type:
    Small molecule

    AlogP:
    0.96

    Polar Surface Area:
    115.04

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  10. ALA3189560

    Name:
    SID26670800

    Mol. Formula:
    C10H10N8O3

    M.W.:
    290.24

    Type:
    Small molecule

    AlogP:
    -2.26

    Polar Surface Area:
    163.95

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  11. ALA2000240

    Name:
    SID22401887

    Mol. Formula:
    C15H15ClN4O2S

    M.W.:
    350.83

    Type:
    Small molecule

    AlogP:
    2.33

    Polar Surface Area:
    68.51

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  12. ALA1982681

    Name:
    SID46501253

    Mol. Formula:
    C21H23ClO5

    M.W.:
    390.86

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    69.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  13. ALA1978388

    Name:
    SID4246806

    Mol. Formula:
    C20H19N3O4S

    M.W.:
    397.46

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    78.86

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  14. ALA1967734

    Name:
    SID49667523

    Mol. Formula:
    C19H19N3O4

    M.W.:
    353.38

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    84.94

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  15. ALA1612714

    Name:
    SID4249411

    Mol. Formula:
    C23H26N4O3S

    M.W.:
    438.55

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    70.57

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. ALA1611303

    Name:
    SID49649486

    Mol. Formula:
    C21H19NO4

    M.W.:
    349.39

    Type:
    Small molecule

    AlogP:
    4.17

    Polar Surface Area:
    79.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  17. ALA1608866

    Name:
    SID47194484

    Mol. Formula:
    C14H12N2O3

    M.W.:
    256.26

    Type:
    Small molecule

    AlogP:
    3.01

    Polar Surface Area:
    72.24

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  18. ALA1606686

    Name:
    SID49733077

    Mol. Formula:
    C24H24N6O2

    M.W.:
    428.50

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    105.14

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  19. ALA1605357

    Name:
    SID46500247

    Mol. Formula:
    C19H22O7

    M.W.:
    362.38

    Type:
    Small molecule

    AlogP:
    2.31

    Polar Surface Area:
    95.97

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  20. ALA1601229

    Name:
    SID14740935

    Mol. Formula:
    C13H11N5O5

    M.W.:
    317.26

    Type:
    Small molecule

    AlogP:
    0.47

    Polar Surface Area:
    136.35

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
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