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  1. ALA1592276

    Name:
    SID56317368

    Mol. Formula:
    C22H19F2N3O2

    M.W.:
    395.41

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    62.30

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  2. ALA1591932

    Name:
    SID56319647

    Mol. Formula:
    C22H23N3O5S

    M.W.:
    441.51

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    89.87

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  3. ALA1587829

    Name:
    SID49716510

    Mol. Formula:
    C26H36N6OS

    M.W.:
    480.68

    Type:
    Small molecule

    AlogP:
    4.11

    Polar Surface Area:
    75.42

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. ALA1581464

    Name:
    SID24783716

    Mol. Formula:
    C12H7N3OS

    M.W.:
    241.28

    Type:
    Small molecule

    AlogP:
    2.92

    Polar Surface Area:
    43.33

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA1576721

    Name:
    SID46500260

    Mol. Formula:
    C17H11NO4

    M.W.:
    293.28

    Type:
    Small molecule

    AlogP:
    1.64

    Polar Surface Area:
    87.39

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  6. ALA1556971

    Name:
    SID17386029

    Mol. Formula:
    C24H22N2O5S

    M.W.:
    450.52

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    84.94

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  7. ALA1555191

    Name:
    SID56314966

    Mol. Formula:
    C20H18FN3O2

    M.W.:
    351.38

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    54.34

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  8. ALA1533397

    Name:
    SID56320113

    Mol. Formula:
    C14H9BrN2O4S

    M.W.:
    381.21

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    85.45

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  9. ALA1519033

    Name:
    SID56318017

    Mol. Formula:
    C18H20N2O3S

    M.W.:
    344.44

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    58.64

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  10. ALA1513570

    Name:
    SID51087689

    Mol. Formula:
    C24H21N5O3S2

    M.W.:
    491.60

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    89.16

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  11. ALA1475242

    Name:
    SID56321885

    Mol. Formula:
    C21H22N2O4

    M.W.:
    366.42

    Type:
    Small molecule

    AlogP:
    3.84

    Polar Surface Area:
    63.94

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  12. ALA1466287

    Name:
    SID3712887

    Mol. Formula:
    C18H20N4O3S

    M.W.:
    372.45

    Type:
    Small molecule

    AlogP:
    3.22

    Polar Surface Area:
    90.02

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  13. ALA1456670

    Name:
    SID17432044

    Mol. Formula:
    C21H19BrN2OS

    M.W.:
    427.37

    Type:
    Small molecule

    AlogP:
    5.92

    Polar Surface Area:
    27.05

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  14. ALA1450791

    Name:
    SID3717231

    Mol. Formula:
    C11H8BrNO4S

    M.W.:
    330.16

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    69.40

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  15. ALA1424666

    Name:
    SID49716789

    Mol. Formula:
    C29H32N4O3S

    M.W.:
    516.67

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    73.91

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  16. ALA1414432

    Name:
    SID56316484

    Mol. Formula:
    C24H26N4O6S

    M.W.:
    498.56

    Type:
    Small molecule

    AlogP:
    1.55

    Polar Surface Area:
    136.72

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  17. ALA1353467

    Name:
    SID49648960

    Mol. Formula:
    C15H12N2S

    M.W.:
    252.34

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    25.78

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  18. ALA1345764

    Name:
    SID24805748

    Mol. Formula:
    C17H14ClN3O2

    M.W.:
    327.77

    Type:
    Small molecule

    AlogP:
    4.47

    Polar Surface Area:
    68.06

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  19. ALA1328523

    Name:
    SID24791355

    Mol. Formula:
    C21H16ClN5O5S

    M.W.:
    485.91

    Type:
    Small molecule

    AlogP:
    5.96

    Polar Surface Area:
    150.05

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  20. ALA1319129

    Name:
    SID56323176

    Mol. Formula:
    C18H20N2O3S

    M.W.:
    344.44

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    58.64

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
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