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  1. ALA4299744

    Name:
    US9156811, DDD100877

    Mol. Formula:
    C18H18BrN3OS

    M.W.:
    404.33

    Type:
    Small molecule

    AlogP:
    4.22

    Polar Surface Area:
    52.91

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  2. ALA4299742

    Name:
    US9156811, DDD73324

    Mol. Formula:
    C26H20ClF6N3O3S

    M.W.:
    603.97

    Type:
    Small molecule

    AlogP:
    7.96

    Polar Surface Area:
    71.37

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  3. ALA4299741

    Name:
    US9156811, DDD85603

    Mol. Formula:
    C20H22BrN5OS

    M.W.:
    460.40

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    69.04

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  4. ALA4299740

    Name:
    US9156811, DDD71250

    Mol. Formula:
    C13H14N4OS

    M.W.:
    274.35

    Type:
    Small molecule

    AlogP:
    2.04

    Polar Surface Area:
    76.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  5. ALA4115646

    Name:
    US9156811, DDD73501

    Mol. Formula:
    C22H28N4O5S

    M.W.:
    460.56

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    103.71

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  6. ALA4115578

    Name:
    US9156811, DDD100158

    Mol. Formula:
    C24H38N4O2S

    M.W.:
    446.66

    Type:
    Small molecule

    AlogP:
    4.44

    Polar Surface Area:
    76.02

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  7. ALA4115573

    Name:
    US9156811, DDD88325

    Mol. Formula:
    C10H8BrCl2N3O2S

    M.W.:
    385.07

    Type:
    Small molecule

    AlogP:
    3.29

    Polar Surface Area:
    63.99

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  8. ALA4115385

    Name:
    US9156811, DDD71276

    Mol. Formula:
    C15H19N3O4S

    M.W.:
    337.40

    Type:
    Small molecule

    AlogP:
    1.88

    Polar Surface Area:
    82.45

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  9. ALA4115356

    Name:
    US9156811, DDD88318

    Mol. Formula:
    C12H13BrFN3O2S

    M.W.:
    362.22

    Type:
    Small molecule

    AlogP:
    2.74

    Polar Surface Area:
    63.99

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  10. ALA4115275

    Name:
    US9156811, DDD73489

    Mol. Formula:
    C23H25N5O2S

    M.W.:
    435.55

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    88.91

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  11. ALA4115265

    Name:
    US9156811, DDD99821

    Mol. Formula:
    C28H39N5O2S

    M.W.:
    509.72

    Type:
    Small molecule

    AlogP:
    4.53

    Polar Surface Area:
    70.47

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  12. ALA4115259

    Name:
    US9156811, DDD86311

    Mol. Formula:
    C19H21N5O3S

    M.W.:
    399.48

    Type:
    Small molecule

    AlogP:
    3.18

    Polar Surface Area:
    105.98

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  13. ALA4115228

    Name:
    US9156811, DDD73225

    Mol. Formula:
    C17H23N5O3S

    M.W.:
    377.47

    Type:
    Small molecule

    AlogP:
    0.77

    Polar Surface Area:
    96.33

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  14. ALA4115225

    Name:
    US9156811, DDD87756

    Mol. Formula:
    C27H30N6O2S

    M.W.:
    502.64

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    92.15

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  15. ALA4115156

    Name:
    US9156811, DDD87997

    Mol. Formula:
    C21H24F2N6O2S

    M.W.:
    462.53

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    92.15

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  16. ALA4115136

    Name:
    US9156811, DDD100868

    Mol. Formula:
    C26H34N4O2S

    M.W.:
    466.65

    Type:
    Small molecule

    AlogP:
    4.77

    Polar Surface Area:
    67.23

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  17. ALA4115133

    Name:
    US9156811, DDD90144

    Mol. Formula:
    C23H36N4O2S

    M.W.:
    432.63

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    76.02

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  18. ALA4115106

    Name:
    US9156811, DDD73479

    Mol. Formula:
    C20H23Cl2N3O2S

    M.W.:
    440.40

    Type:
    Small molecule

    AlogP:
    5.08

    Polar Surface Area:
    63.99

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  19. ALA4115085

    Name:
    US9156811, DDD88323

    Mol. Formula:
    C21H24F2N6O2S

    M.W.:
    462.53

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    92.15

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  20. ALA4115064

    Name:
    US9156811, DDD85640

    Mol. Formula:
    C17H27N5O2S

    M.W.:
    365.50

    Type:
    Small molecule

    AlogP:
    1.49

    Polar Surface Area:
    79.26

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
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