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  1. ALA3213974

    Name:
    SID17511214

    Mol. Formula:
    C21H27N3O5S

    M.W.:
    433.53

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    97.30

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  2. ALA3212101

    Name:
    SID17386525

    Mol. Formula:
    C20H20ClN3O6S

    M.W.:
    465.92

    Type:
    Small molecule

    AlogP:
    2.11

    Polar Surface Area:
    125.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  3. ALA3208316

    Name:
    SID17385921

    Mol. Formula:
    C26H30N4O5S

    M.W.:
    510.62

    Type:
    Small molecule

    AlogP:
    4.25

    Polar Surface Area:
    119.07

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  4. ALA3207671

    Name:
    SID17386548

    Mol. Formula:
    C24H29N3O4S

    M.W.:
    455.58

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    80.23

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  5. ALA3195374

    Name:
    SID17408172

    Mol. Formula:
    C18H19N5O2S

    M.W.:
    369.45

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    85.31

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  6. ALA3193541

    Name:
    SID17401585

    Mol. Formula:
    C20H16N2O4S

    M.W.:
    380.43

    Type:
    Small molecule

    AlogP:
    3.79

    Polar Surface Area:
    87.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  7. ALA1600326

    Name:
    SID26665565

    Mol. Formula:
    C17H15N3O3S

    M.W.:
    341.39

    Type:
    Small molecule

    AlogP:
    2.65

    Polar Surface Area:
    72.39

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  8. ALA1588160

    Name:
    SID17401733

    Mol. Formula:
    C22H23N3O3

    M.W.:
    377.44

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    57.80

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  9. ALA1565133

    Name:
    SID26749210

    Mol. Formula:
    C20H15NO8S

    M.W.:
    429.41

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    40.80

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  10. ALA1563641

    Name:
    SID863097

    Mol. Formula:
    C22H23N5O3S

    M.W.:
    437.53

    Type:
    Small molecule

    AlogP:
    2.69

    Polar Surface Area:
    89.35

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  11. ALA1559351

    Name:
    SID4265472

    Mol. Formula:
    C22H23ClN4O2S

    M.W.:
    442.97

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    58.44

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  12. ALA1524928

    Name:
    SID17409173

    Mol. Formula:
    C19H24INOS

    M.W.:
    441.38

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    20.23

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  13. ALA1510394

    Name:
    SID7968010

    Mol. Formula:
    C20H23N3O4S

    M.W.:
    401.49

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    82.45

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  14. ALA1509082

    Name:
    SID24812658

    Mol. Formula:
    C16H14FN3O2S

    M.W.:
    331.37

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    63.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  15. ALA1504286

    Name:
    SID24823763

    Mol. Formula:
    C17H16ClN3O2S

    M.W.:
    361.85

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    63.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  16. ALA1503187

    Name:
    SID860160

    Mol. Formula:
    C19H21N5O3S

    M.W.:
    399.48

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    102.05

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  17. ALA1502753

    Name:
    SID844392

    Mol. Formula:
    C17H18N6O2S2

    M.W.:
    402.51

    Type:
    Small molecule

    AlogP:
    3.02

    Polar Surface Area:
    101.80

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  18. ALA1500528

    Name:
    SID14735723

    Mol. Formula:
    C15H20ClNO

    M.W.:
    265.78

    Type:
    Small molecule

    AlogP:
    2.26

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.73

    DETAILS
  19. ALA1499859

    Name:
    SID14734135

    Mol. Formula:
    C27H27N5O2S

    M.W.:
    485.61

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    88.91

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  20. ALA1498280

    Name:
    SID858011

    Mol. Formula:
    C21H29N3O

    M.W.:
    339.48

    Type:
    Small molecule

    AlogP:
    3.61

    Polar Surface Area:
    39.34

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
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