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  1. ALA4111676

    Name:
    US8530490, 99

    Mol. Formula:
    C19H24FN3O4S2

    M.W.:
    441.55

    Type:
    Small molecule

    AlogP:
    2.25

    Polar Surface Area:
    101.03

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  2. ALA3974422

    Name:
    US8530490, 3

    Mol. Formula:
    C23H32FN3O7S

    M.W.:
    513.59

    Type:
    Small molecule

    AlogP:
    1.58

    Polar Surface Area:
    139.72

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  3. ALA3699015

    Name:
    US8883759, 19

    Mol. Formula:
    C20H27N3O5S

    M.W.:
    421.52

    Type:
    Small molecule

    AlogP:
    1.79

    Polar Surface Area:
    110.26

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  4. ALA3664511

    Name:
    US8530490, 173::US8530490, 175

    Mol. Formula:
    C21H29N3O6S

    M.W.:
    451.55

    Type:
    Small molecule

    AlogP:
    1.49

    Polar Surface Area:
    119.49

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  5. ALA3664510

    Name:
    US8530490, 134

    Mol. Formula:
    C20H27N3O5S

    M.W.:
    421.52

    Type:
    Small molecule

    AlogP:
    1.22

    Polar Surface Area:
    101.47

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  6. ALA3664509

    Name:
    US8530490, 133

    Mol. Formula:
    C18H23N3O4S

    M.W.:
    377.47

    Type:
    Small molecule

    AlogP:
    0.92

    Polar Surface Area:
    92.24

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  7. ALA3664508

    Name:
    US8530490, 132

    Mol. Formula:
    C24H25F2N3O5S

    M.W.:
    505.54

    Type:
    Small molecule

    AlogP:
    1.94

    Polar Surface Area:
    112.47

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  8. ALA3664507

    Name:
    US8530490, 131

    Mol. Formula:
    C24H25F2N3O5S

    M.W.:
    505.54

    Type:
    Small molecule

    AlogP:
    1.94

    Polar Surface Area:
    112.47

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA3664506

    Name:
    US8530490, 130

    Mol. Formula:
    C24H27N3O5S

    M.W.:
    469.56

    Type:
    Small molecule

    AlogP:
    1.66

    Polar Surface Area:
    112.47

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  10. ALA3664505

    Name:
    US8530490, 98

    Mol. Formula:
    C19H24FN3O5S

    M.W.:
    425.48

    Type:
    Small molecule

    AlogP:
    1.54

    Polar Surface Area:
    110.26

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  11. ALA3664504

    Name:
    US8530490, 97

    Mol. Formula:
    C24H26FN3O5S

    M.W.:
    487.55

    Type:
    Small molecule

    AlogP:
    2.94

    Polar Surface Area:
    110.26

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  12. ALA3664503

    Name:
    US8530490, 49::US8530490, 6

    Mol. Formula:
    C20H27N3O7S

    M.W.:
    453.52

    Type:
    Small molecule

    AlogP:
    0.75

    Polar Surface Area:
    128.72

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  13. ALA3664502

    Name:
    US8530490, 1

    Mol. Formula:
    C19H25N3O6S

    M.W.:
    423.49

    Type:
    Small molecule

    AlogP:
    0.81

    Polar Surface Area:
    119.49

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  14. ALA3664501

    Name:
    US8530490, Comparative 2

    Mol. Formula:
    C21H22N4O7S

    M.W.:
    474.50

    Type:
    Small molecule

    AlogP:
    0.91

    Polar Surface Area:
    150.80

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  15. ALA3664500

    Name:
    US8530490, 179

    Mol. Formula:
    C23H26N4O5S

    M.W.:
    470.55

    Type:
    Small molecule

    AlogP:
    1.98

    Polar Surface Area:
    123.15

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  16. ALA3664499

    Name:
    US8530490, 167

    Mol. Formula:
    C21H27N3O6S

    M.W.:
    449.53

    Type:
    Small molecule

    AlogP:
    1.59

    Polar Surface Area:
    119.49

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  17. ALA3664498

    Name:
    US8530490, 166

    Mol. Formula:
    C19H25N3O6S

    M.W.:
    423.49

    Type:
    Small molecule

    AlogP:
    1.06

    Polar Surface Area:
    119.49

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  18. ALA3664497

    Name:
    US8530490, 165

    Mol. Formula:
    C18H23N3O6S

    M.W.:
    409.46

    Type:
    Small molecule

    AlogP:
    0.81

    Polar Surface Area:
    119.49

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  19. ALA3664496

    Name:
    US8530490, 164

    Mol. Formula:
    C17H21N3O5S

    M.W.:
    379.44

    Type:
    Small molecule

    AlogP:
    0.80

    Polar Surface Area:
    110.26

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  20. ALA3664495

    Name:
    US8530490, 162

    Mol. Formula:
    C20H27N3O5S

    M.W.:
    421.52

    Type:
    Small molecule

    AlogP:
    2.08

    Polar Surface Area:
    110.26

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
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