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  1. ALA4068783

    Name:
    (5S,11S,14S,17S,20S)-20-amino-14-benzyl-2-butyl-17
    Show More

    Mol. Formula:
    C35H55N7O11

    M.W.:
    749.86

    Type:
    Small molecule

    AlogP:
    -1.46

    Polar Surface Area:
    295.45

    HBA:
    10

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    24

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  2. ALA4562303

    Name:
    NA

    Mol. Formula:
    C47H70N4O9

    M.W.:
    835.10

    Type:
    Unknown

    AlogP:
    6.72

    Polar Surface Area:
    117.02

    HBA:
    13

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  3. ALA4111499

    Name:
    US8470816, 629

    Cas Number:
    299441-96-6

    Mol. Formula:
    C16H15ClO3

    M.W.:
    290.75

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    35.53

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  4. ALA3775108

    Name:
    (3S,6S,9S,12S,18S)-3-amino-9-benzyl-21-carbamoyl-6
    Show More

    Mol. Formula:
    C35H56N8O10

    M.W.:
    748.88

    Type:
    Small molecule

    AlogP:
    -2.06

    Polar Surface Area:
    301.24

    HBA:
    10

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    24

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  5. ALA3651897

    Name:
    US8592454, 71b

    Mol. Formula:
    C29H31F7N4O3

    M.W.:
    616.58

    Type:
    Small molecule

    AlogP:
    5.60

    Polar Surface Area:
    64.17

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  6. ALA3651895

    Name:
    US8592454, 378

    Mol. Formula:
    C27H29F7N4O3

    M.W.:
    590.54

    Type:
    Small molecule

    AlogP:
    5.71

    Polar Surface Area:
    65.12

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  7. ALA3651894

    Name:
    US8592454, 308

    Mol. Formula:
    C31H35F7N4O4

    M.W.:
    660.63

    Type:
    Small molecule

    AlogP:
    5.36

    Polar Surface Area:
    84.40

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  8. ALA3651889

    Name:
    US8592454, 66

    Mol. Formula:
    C29H30Cl2F6N4O3

    M.W.:
    667.48

    Type:
    Small molecule

    AlogP:
    6.77

    Polar Surface Area:
    64.17

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  9. ALA3642175

    Name:
    US8470816, 635

    Mol. Formula:
    C27H29Cl2F3N4O4

    M.W.:
    601.45

    Type:
    Small molecule

    AlogP:
    4.09

    Polar Surface Area:
    94.05

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  10. ALA3642172

    Name:
    US8470816, 623

    Mol. Formula:
    C33H40Cl2N4O5

    M.W.:
    643.61

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    93.63

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  11. ALA3642170

    Name:
    US8470816, 458

    Mol. Formula:
    C27H30Cl3N3O4

    M.W.:
    566.91

    Type:
    Small molecule

    AlogP:
    4.33

    Polar Surface Area:
    81.16

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  12. ALA3642167

    Name:
    US8470816, 268

    Cas Number:
    1160253-76-8

    Mol. Formula:
    C31H38Cl2N4O4

    M.W.:
    601.58

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    73.40

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  13. ALA3642166

    Name:
    US8470816, 265

    Cas Number:
    1160253-70-2

    Mol. Formula:
    C28H30Cl2F3N3O3

    M.W.:
    584.47

    Type:
    Small molecule

    AlogP:
    5.73

    Polar Surface Area:
    60.93

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  14. ALA3642164

    Name:
    US8470816, 251a

    Mol. Formula:
    C27H30Cl3N3O3

    M.W.:
    550.91

    Type:
    Small molecule

    AlogP:
    5.36

    Polar Surface Area:
    60.93

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  15. ALA3642162

    Name:
    US8470816, 82

    Mol. Formula:
    C29H28Cl2F6N2O3

    M.W.:
    637.45

    Type:
    Small molecule

    AlogP:
    7.49

    Polar Surface Area:
    57.69

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  16. ALA3360202

    Name:
    (3S)-3-{[(1S)-1-{[(1S)-1-({1-[({[(1S)-1-{[(1S)-1-c
    Show More

    Mol. Formula:
    C42H58N12O14

    M.W.:
    955.00

    Type:
    Small molecule

    AlogP:
    -1.59

    Polar Surface Area:
    398.41

    HBA:
    16

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    29

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  17. ALA3360201

    Name:
    (3S)-3-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-3-(1H-imid
    Show More

    Mol. Formula:
    C56H81N17O17S

    M.W.:
    1296.43

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA3360200

    Name:
    (3S,6S,9S,12S,18S,21S)-9-benzyl-21-carbamoyl-6-(hy
    Show More

    Mol. Formula:
    C41H57N11O13

    M.W.:
    911.97

    Type:
    Small molecule

    AlogP:
    -0.46

    Polar Surface Area:
    369.31

    HBA:
    15

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  19. ALA3360199

    Name:
    (S)-1-((R)-1-((2S,5R,8S,11S)-5-((1H-indol-3-yl)met
    Show More

    Mol. Formula:
    C60H72N14O12

    M.W.:
    1181.32

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA3360198

    Name:
    (2S)-N-[(1S)-1-{[(1R)-1-{[(1S)-1-{[(2R)-1-[(2S)-2-
    Show More

    Mol. Formula:
    C62H71N13O11

    M.W.:
    1174.33

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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