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  1. ALA1604942

    Name:
    SID3717334

    Cas Number:
    746605-80-1

    Mol. Formula:
    C18H23N5O2S

    M.W.:
    373.48

    Type:
    Small molecule

    AlogP:
    1.23

    Polar Surface Area:
    94.11

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  2. ALA1604896

    Name:
    SID7973643

    Mol. Formula:
    C12H14N2O3S

    M.W.:
    266.32

    Type:
    Small molecule

    AlogP:
    1.27

    Polar Surface Area:
    57.69

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. ALA1604792

    Name:
    SID24395793

    Mol. Formula:
    C19H19N3O4S

    M.W.:
    385.45

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    82.45

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  4. ALA1604785

    Name:
    SID24276452

    Mol. Formula:
    C11H13N5O

    M.W.:
    231.26

    Type:
    Small molecule

    AlogP:
    1.01

    Polar Surface Area:
    72.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  5. ALA1604731

    Name:
    SID26659642

    Mol. Formula:
    C12H12N4O3

    M.W.:
    260.25

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    99.93

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  6. ALA1604691

    Name:
    SID17514976

    Cas Number:
    399002-25-6

    Mol. Formula:
    C19H20ClN3OS

    M.W.:
    373.91

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    37.60

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  7. ALA1604392

    Name:
    SID24272237

    Mol. Formula:
    C23H16N2O4

    M.W.:
    384.39

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    92.42

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  8. ALA1604273

    Name:
    SID24272284

    Mol. Formula:
    C22H17FN2O3

    M.W.:
    376.39

    Type:
    Small molecule

    AlogP:
    4.96

    Polar Surface Area:
    64.36

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  9. ALA1604210

    Name:
    SID24802744

    Mol. Formula:
    C17H15ClN2O

    M.W.:
    298.77

    Type:
    Small molecule

    AlogP:
    5.03

    Polar Surface Area:
    34.15

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  10. ALA1603994

    Name:
    SID4264672

    Mol. Formula:
    C11H11N3S2

    M.W.:
    249.36

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    49.57

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  11. ALA1603904

    Name:
    SID24392850

    Cas Number:
    898623-58-0

    Mol. Formula:
    C20H23ClN2O3

    M.W.:
    374.87

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    50.80

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  12. ALA1603765

    Name:
    SID24395602

    Cas Number:
    902881-95-2

    Mol. Formula:
    C26H24N6O2S

    M.W.:
    484.59

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    105.56

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  13. ALA1603478

    Name:
    SID4256452

    Mol. Formula:
    C23H15N3O4

    M.W.:
    397.39

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    92.51

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA1603463

    Name:
    SID24272092

    Cas Number:
    290839-57-5

    Mol. Formula:
    C21H23NO6S

    M.W.:
    417.48

    Type:
    Small molecule

    AlogP:
    4.10

    Polar Surface Area:
    90.93

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  15. ALA1603084

    Name:
    SID17516286

    Mol. Formula:
    C24H28ClNO3

    M.W.:
    413.95

    Type:
    Small molecule

    AlogP:
    5.46

    Polar Surface Area:
    55.40

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  16. ALA1603056

    Name:
    SID24791538

    Mol. Formula:
    C19H15N3O5

    M.W.:
    365.35

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    110.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  17. ALA1603047

    Name:
    SID17412888

    Mol. Formula:
    C17H12N4S

    M.W.:
    304.38

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    50.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  18. ALA1602938

    Name:
    SID24390594

    Cas Number:
    872869-39-1

    Mol. Formula:
    C22H22N2O5S

    M.W.:
    426.49

    Type:
    Small molecule

    AlogP:
    3.53

    Polar Surface Area:
    96.69

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  19. ALA1602852

    Name:
    SID14740862

    Mol. Formula:
    C17H13ClN4O2

    M.W.:
    340.77

    Type:
    Small molecule

    AlogP:
    3.79

    Polar Surface Area:
    83.97

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  20. ALA1602758

    Name:
    SID24390833

    Mol. Formula:
    C22H22ClNO4

    M.W.:
    399.87

    Type:
    Small molecule

    AlogP:
    4.32

    Polar Surface Area:
    68.54

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
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