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  1. ALA3209733

    Name:
    SID7975629

    Mol. Formula:
    C17H14N2O2S

    M.W.:
    310.38

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    58.62

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  2. ALA3194756

    Name:
    SID17412603

    Mol. Formula:
    C27H24N4O6S

    M.W.:
    532.58

    Type:
    Small molecule

    AlogP:
    4.82

    Polar Surface Area:
    135.12

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA3193270

    Name:
    SID17407653

    Mol. Formula:
    C17H15N3OS

    M.W.:
    309.39

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    54.02

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  4. ALA3189669

    Name:
    SID17411665

    Mol. Formula:
    C19H19N5O2S

    M.W.:
    381.46

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    83.58

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  5. ALA1988401

    Name:
    SID17409307

    Mol. Formula:
    C27H24N4O7S

    M.W.:
    548.58

    Type:
    Small molecule

    AlogP:
    4.60

    Polar Surface Area:
    144.35

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  6. ALA1608400

    Name:
    SID17401743

    Mol. Formula:
    C11H13N3OS

    M.W.:
    235.31

    Type:
    Small molecule

    AlogP:
    2.32

    Polar Surface Area:
    61.03

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  7. ALA1607455

    Name:
    SID17409267

    Mol. Formula:
    C26H24N2O3S

    M.W.:
    444.56

    Type:
    Small molecule

    AlogP:
    5.57

    Polar Surface Area:
    60.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  8. ALA1600837

    Name:
    SID14731114

    Mol. Formula:
    C17H15N5OS2

    M.W.:
    369.48

    Type:
    Small molecule

    AlogP:
    4.37

    Polar Surface Area:
    69.63

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  9. ALA1589544

    Name:
    SID14736743

    Mol. Formula:
    C18H12Cl3NO5S

    M.W.:
    460.72

    Type:
    Small molecule

    AlogP:
    5.28

    Polar Surface Area:
    76.82

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  10. ALA1588992

    Name:
    SID17416292

    Mol. Formula:
    C18H15N3O2S3

    M.W.:
    401.54

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    62.30

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  11. ALA1581585

    Name:
    SID14735680

    Mol. Formula:
    C18H14ClN3O3

    M.W.:
    355.78

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    75.81

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  12. ALA1545293

    Name:
    SID4252205

    Mol. Formula:
    C18H29N3O3S

    M.W.:
    367.52

    Type:
    Small molecule

    AlogP:
    1.69

    Polar Surface Area:
    69.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  13. ALA1537973

    Name:
    SID17411110

    Mol. Formula:
    C14H11FN2O3

    M.W.:
    274.25

    Type:
    Small molecule

    AlogP:
    2.28

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  14. ALA1536053

    Name:
    SID14729318

    Mol. Formula:
    C20H18N2O5

    M.W.:
    366.37

    Type:
    Small molecule

    AlogP:
    3.28

    Polar Surface Area:
    79.65

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  15. ALA1504706

    Name:
    SID14745015

    Mol. Formula:
    C20H20N4O2S

    M.W.:
    380.47

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    76.71

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  16. ALA1499091

    Name:
    SID3716529

    Mol. Formula:
    C16H23N3O2

    M.W.:
    289.38

    Type:
    Small molecule

    AlogP:
    0.81

    Polar Surface Area:
    75.43

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  17. ALA1491241

    Name:
    SID846797

    Mol. Formula:
    C24H25FN6OS

    M.W.:
    464.57

    Type:
    Small molecule

    AlogP:
    3.84

    Polar Surface Area:
    59.31

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  18. ALA1480787

    Name:
    SID4242245

    Mol. Formula:
    C22H21N3O4S

    M.W.:
    423.49

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    76.56

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  19. ALA1478345

    Name:
    SID17413894

    Mol. Formula:
    C23H18ClF3N6OS2

    M.W.:
    551.02

    Type:
    Small molecule

    AlogP:
    5.98

    Polar Surface Area:
    85.59

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  20. ALA1477463

    Name:
    SID14740856

    Mol. Formula:
    C22H20N4O4S

    M.W.:
    436.49

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    104.77

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
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