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  1. ALA1610242

    Name:
    SID49716834

    Mol. Formula:
    C21H21N3O5S

    M.W.:
    427.48

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    94.58

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  2. ALA1607639

    Name:
    SID4262882

    Mol. Formula:
    C19H15FN4O2S

    M.W.:
    382.42

    Type:
    Small molecule

    AlogP:
    4.10

    Polar Surface Area:
    72.95

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  3. ALA1605363

    Name:
    SID17410901

    Mol. Formula:
    C19H14N4OS2

    M.W.:
    378.48

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    67.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  4. ALA1601538

    Name:
    SID74373753

    Mol. Formula:
    C18H14ClN3O3S

    M.W.:
    387.85

    Type:
    Small molecule

    AlogP:
    3.02

    Polar Surface Area:
    101.29

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  5. ALA1601448

    Name:
    SID49681082

    Mol. Formula:
    C20H17Cl2NO5

    M.W.:
    422.26

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    79.98

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  6. ALA1601194

    Name:
    SID7977182

    Mol. Formula:
    C21H25N3O5S

    M.W.:
    431.51

    Type:
    Small molecule

    AlogP:
    1.97

    Polar Surface Area:
    110.01

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  7. ALA1598762

    Name:
    SID47199811

    Mol. Formula:
    C20H18BrNO5

    M.W.:
    432.27

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    66.88

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  8. ALA1592326

    Name:
    SID49719036

    Mol. Formula:
    C28H22N2O5

    M.W.:
    466.49

    Type:
    Small molecule

    AlogP:
    5.55

    Polar Surface Area:
    92.87

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  9. ALA1589959

    Name:
    SID57255580

    Mol. Formula:
    C19H16N2O4S

    M.W.:
    368.41

    Type:
    Small molecule

    AlogP:
    4.37

    Polar Surface Area:
    89.27

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  10. ALA1582191

    Name:
    SID49825168

    Mol. Formula:
    C22H19FN2O4

    M.W.:
    394.40

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    84.33

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  11. ALA1581437

    Name:
    SID50085710

    Mol. Formula:
    C24H18N2O6

    M.W.:
    430.42

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    106.01

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  12. ALA1580962

    Name:
    SID26659920

    Mol. Formula:
    C16H17N3OS2

    M.W.:
    331.47

    Type:
    Small molecule

    AlogP:
    4.24

    Polar Surface Area:
    58.90

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  13. ALA1580310

    Name:
    SID17515832

    Mol. Formula:
    C16H19N3OS2

    M.W.:
    333.48

    Type:
    Small molecule

    AlogP:
    3.70

    Polar Surface Area:
    46.09

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  14. ALA1575283

    Name:
    SID24794093

    Mol. Formula:
    C16H17ClN2O3S

    M.W.:
    352.84

    Type:
    Small molecule

    AlogP:
    4.11

    Polar Surface Area:
    68.29

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  15. ALA1573867

    Name:
    SID14740858

    Mol. Formula:
    C23H21BrN2O4

    M.W.:
    469.34

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    73.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  16. ALA1571111

    Name:
    SID24780094

    Mol. Formula:
    C17H14ClN3O3S

    M.W.:
    375.84

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    81.06

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  17. ALA1569119

    Name:
    SID24789501

    Mol. Formula:
    C15H16N2OS

    M.W.:
    272.37

    Type:
    Small molecule

    AlogP:
    2.94

    Polar Surface Area:
    37.79

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.75

    DETAILS
  18. ALA1565261

    Name:
    SID859777

    Mol. Formula:
    C24H25N3O4

    M.W.:
    419.48

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    86.88

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  19. ALA1565040

    Name:
    SID14738494

    Mol. Formula:
    C25H24FN7OS

    M.W.:
    489.58

    Type:
    Small molecule

    AlogP:
    4.58

    Polar Surface Area:
    100.86

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  20. ALA1564075

    Name:
    SID56318532

    Mol. Formula:
    C23H24N4O4

    M.W.:
    420.47

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    111.53

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
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