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  1. ALA5172938

    Name:
    (5R,8S,11R,14S,17S,20R)-5-[[(2S)-2-acetamidohexanoyl]amino]-11-benzyl-14-(3Show More

    Mol. Formula:
    C56H74N14O8S2

    M.W.:
    1135.43

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA3986832

    Name:
    US9340517, 81

    Mol. Formula:
    C43H50N8O4

    M.W.:
    742.92

    Type:
    Small molecule

    AlogP:
    5.19

    Polar Surface Area:
    180.53

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  3. ALA3986831

    Name:
    US9340517, 478

    Mol. Formula:
    C31H40Cl2N4O4

    M.W.:
    603.59

    Type:
    Small molecule

    AlogP:
    4.66

    Polar Surface Area:
    101.98

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  4. ALA3986770

    Name:
    US9340517, 364

    Mol. Formula:
    C21H22Cl4N4O2

    M.W.:
    504.25

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    87.46

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  5. ALA3986734

    Name:
    US9340517, 403

    Mol. Formula:
    C29H44Cl2N4O2

    M.W.:
    551.60

    Type:
    Small molecule

    AlogP:
    5.23

    Polar Surface Area:
    64.68

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  6. ALA3986407

    Name:
    US9340517, 459

    Mol. Formula:
    C30H33F3N4O2

    M.W.:
    538.61

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    87.46

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  7. ALA3986205

    Name:
    US9340517, 115::US9340517, 138

    Mol. Formula:
    C31H38N6O2

    M.W.:
    526.69

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    123.34

    HBA:
    4

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  8. ALA3985613

    Name:
    US9340517, 71

    Mol. Formula:
    C35H40N4O2

    M.W.:
    548.73

    Type:
    Small molecule

    AlogP:
    4.96

    Polar Surface Area:
    73.47

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  9. ALA3985611

    Name:
    US9340517, 493

    Mol. Formula:
    C31H39ClN4O2

    M.W.:
    535.13

    Type:
    Small molecule

    AlogP:
    5.10

    Polar Surface Area:
    87.46

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  10. ALA3985356

    Name:
    US9340517, 350

    Mol. Formula:
    C30H44N4O2

    M.W.:
    492.71

    Type:
    Small molecule

    AlogP:
    4.44

    Polar Surface Area:
    64.68

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  11. ALA3985127

    Name:
    US9340517, 221

    Mol. Formula:
    C34H37FN4O2

    M.W.:
    552.69

    Type:
    Small molecule

    AlogP:
    4.84

    Polar Surface Area:
    87.46

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  12. ALA3984967

    Name:
    US9340517, 284

    Mol. Formula:
    C34H40Cl2N4O2

    M.W.:
    607.63

    Type:
    Small molecule

    AlogP:
    5.99

    Polar Surface Area:
    64.68

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  13. ALA3984576

    Name:
    US9340517, 231

    Mol. Formula:
    C38H47FN4O2

    M.W.:
    610.82

    Type:
    Small molecule

    AlogP:
    6.05

    Polar Surface Area:
    73.47

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  14. ALA3984528

    Name:
    US9340517, 173

    Mol. Formula:
    C33H39FN6O2

    M.W.:
    570.71

    Type:
    Small molecule

    AlogP:
    3.61

    Polar Surface Area:
    123.34

    HBA:
    4

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  15. ALA3984103

    Name:
    US9340517, 242

    Mol. Formula:
    C33H37N5O2S

    M.W.:
    567.76

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    100.35

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  16. ALA3983965

    Name:
    US9340517, 219

    Mol. Formula:
    C33H40N4O2

    M.W.:
    524.71

    Type:
    Small molecule

    AlogP:
    4.25

    Polar Surface Area:
    87.46

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  17. ALA3983736

    Name:
    US9340517, 500

    Mol. Formula:
    C36H47ClN4O2

    M.W.:
    603.25

    Type:
    Small molecule

    AlogP:
    6.63

    Polar Surface Area:
    64.68

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  18. ALA3983150

    Name:
    US9340517, 356

    Mol. Formula:
    C38H44N4O2

    M.W.:
    588.80

    Type:
    Small molecule

    AlogP:
    5.84

    Polar Surface Area:
    64.68

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  19. ALA3983112

    Name:
    US9340517, 435

    Mol. Formula:
    C36H41ClN4O3

    M.W.:
    613.20

    Type:
    Small molecule

    AlogP:
    5.26

    Polar Surface Area:
    81.75

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  20. ALA3983098

    Name:
    US9340517, 565::US9340517, 580

    Mol. Formula:
    C34H43ClN4O2

    M.W.:
    575.20

    Type:
    Small molecule

    AlogP:
    5.85

    Polar Surface Area:
    64.68

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
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