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  1. ALA3391770

    Name:
    SID85305124

    Mol. Formula:
    C19H31BrO2

    M.W.:
    371.36

    Type:
    Small molecule

    AlogP:
    4.12

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  2. ALA3391767

    Name:
    SID85302052

    Mol. Formula:
    C19H30O3

    M.W.:
    306.45

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  3. ALA3214337

    Name:
    SID47199308

    Mol. Formula:
    C21H19N3O4

    M.W.:
    377.40

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    103.01

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  4. ALA3213619

    Name:
    SID26731607

    Mol. Formula:
    C26H18N6O3S

    M.W.:
    494.54

    Type:
    Small molecule

    AlogP:
    5.28

    Polar Surface Area:
    136.40

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  5. ALA3213135

    Name:
    SID49824876

    Mol. Formula:
    C18H22N2O5S2

    M.W.:
    410.52

    Type:
    Small molecule

    AlogP:
    1.71

    Polar Surface Area:
    85.27

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  6. ALA3212612

    Name:
    SID24840958

    Mol. Formula:
    C23H20N4O5S

    M.W.:
    464.50

    Type:
    Small molecule

    AlogP:
    0.34

    Polar Surface Area:
    126.40

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  7. ALA3210830

    Name:
    SID47199158

    Mol. Formula:
    C24H23N3O5S

    M.W.:
    465.53

    Type:
    Small molecule

    AlogP:
    3.35

    Polar Surface Area:
    116.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA3210538

    Name:
    SID17513720

    Mol. Formula:
    C18H19N3O2

    M.W.:
    309.37

    Type:
    Small molecule

    AlogP:
    2.15

    Polar Surface Area:
    70.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  9. ALA3208816

    Name:
    SID49816112

    Mol. Formula:
    C21H22N2O5S2

    M.W.:
    446.55

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    85.27

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  10. ALA3207707

    Name:
    SID26657866

    Mol. Formula:
    C15H16N2O3S

    M.W.:
    304.37

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    59.92

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  11. ALA3198946

    Name:
    SID22414752

    Mol. Formula:
    C19H23N3O2

    M.W.:
    325.41

    Type:
    Small molecule

    AlogP:
    3.21

    Polar Surface Area:
    70.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  12. ALA3197441

    Name:
    SID49643380

    Mol. Formula:
    C14H17Cl2N3O

    M.W.:
    314.22

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    44.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  13. ALA3197040

    Name:
    SID14739787

    Mol. Formula:
    C17H22N2O3S

    M.W.:
    334.44

    Type:
    Small molecule

    AlogP:
    2.97

    Polar Surface Area:
    60.66

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  14. ALA3195521

    Name:
    SID49716290

    Mol. Formula:
    C17H18FN9O3

    M.W.:
    415.39

    Type:
    Small molecule

    AlogP:
    -0.03

    Polar Surface Area:
    149.58

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  15. ALA3194520

    Name:
    SID49824140

    Mol. Formula:
    C22H17F2N3O2

    M.W.:
    393.39

    Type:
    Small molecule

    AlogP:
    4.37

    Polar Surface Area:
    70.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  16. ALA3193154

    Name:
    SID24836235

    Mol. Formula:
    C19H18N4O4S

    M.W.:
    398.44

    Type:
    Small molecule

    AlogP:
    1.34

    Polar Surface Area:
    111.86

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  17. ALA3191608

    Name:
    SID57262897

    Mol. Formula:
    C20H21N3O5S

    M.W.:
    415.47

    Type:
    Small molecule

    AlogP:
    2.32

    Polar Surface Area:
    116.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  18. ALA3191451

    Name:
    SID22402293

    Mol. Formula:
    C11H14Cl2N4O

    M.W.:
    289.17

    Type:
    Small molecule

    AlogP:
    1.76

    Polar Surface Area:
    59.28

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  19. ALA3190567

    Name:
    SID26663311

    Mol. Formula:
    C18H21ClN4OS

    M.W.:
    376.91

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    47.94

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  20. ALA3190313

    Name:
    SID57266792

    Mol. Formula:
    C25H29N3O9S

    M.W.:
    547.59

    Type:
    Small molecule

    AlogP:
    2.06

    Polar Surface Area:
    142.06

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
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