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  1. ALA5204945

    Name:
    (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-(2-carboxybenzoyloxy)-2,4a,6a,6bShow More

    Mol. Formula:
    C38H50O7

    M.W.:
    618.81

    Type:
    ---

    AlogP:
    7.98

    Polar Surface Area:
    117.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  2. ALA5189562

    Name:
    3-(4-(5-((2S,6R)-2,6-dimethylpiperidin-1-yl)pentyl)-3-oxo-3,4-dihydroquinoxShow More

    Mol. Formula:
    C27H35N5O2

    M.W.:
    461.61

    Type:
    ---

    AlogP:
    4.49

    Polar Surface Area:
    108.23

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  3. ALA5182433

    Name:
    3-((1H-imidazol-4-yl)methyl)piperazine-2,5-dione

    Mol. Formula:
    C8H10N4O2

    M.W.:
    194.19

    Type:
    ---

    AlogP:
    -1.43

    Polar Surface Area:
    86.88

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  4. ALA5092327

    Name:
    (3S,6S,14S)-6-acetamido-N-((S)-1-(6-((S)-1-acetamido-3-methyl-1-oxobutan-2-Show More

    Mol. Formula:
    C36H55N11O7S

    M.W.:
    785.97

    Type:
    Unknown

    AlogP:
    0.36

    Polar Surface Area:
    292.48

    HBA:
    11

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  5. ALA5091873

    Name:
    (3S,6S,14S)-6-acetamido-N-((S)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-yShow More

    Mol. Formula:
    C27H43N9O6S

    M.W.:
    621.77

    Type:
    Unknown

    AlogP:
    -0.72

    Polar Surface Area:
    237.36

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  6. ALA5091578

    Name:
    (3S,6S,14S)-6-acetamido-3-(3-amino-3-oxopropyl)-N-((S)-1-(benzo[d]thiazol-2Show More

    Mol. Formula:
    C30H42N10O7S

    M.W.:
    686.80

    Type:
    Unknown

    AlogP:
    -1.34

    Polar Surface Area:
    280.45

    HBA:
    10

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  7. ALA5091091

    Name:
    (3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More

    Mol. Formula:
    C32H47N9O6S

    M.W.:
    685.85

    Type:
    Unknown

    AlogP:
    0.78

    Polar Surface Area:
    228.57

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  8. ALA5088958

    Name:
    (3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More

    Mol. Formula:
    C29H41N9O7S

    M.W.:
    659.77

    Type:
    Unknown

    AlogP:
    -1.23

    Polar Surface Area:
    257.59

    HBA:
    10

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  9. ALA5086585

    Name:
    (3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More

    Mol. Formula:
    C30H43N9O6S2

    M.W.:
    689.87

    Type:
    Unknown

    AlogP:
    0.14

    Polar Surface Area:
    237.36

    HBA:
    10

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  10. ALA5084226

    Name:
    (3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More

    Mol. Formula:
    C30H43N9O6S

    M.W.:
    657.80

    Type:
    Unknown

    AlogP:
    0.05

    Polar Surface Area:
    237.36

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  11. ALA5083517

    Name:
    (2S,5S,14S)-14-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopShow More

    Mol. Formula:
    C32H47N9O6S

    M.W.:
    685.85

    Type:
    Unknown

    AlogP:
    0.83

    Polar Surface Area:
    237.36

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  12. ALA5081851

    Name:
    (3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More

    Mol. Formula:
    C34H43N9O7S

    M.W.:
    721.84

    Type:
    Unknown

    AlogP:
    0.34

    Polar Surface Area:
    257.59

    HBA:
    10

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  13. ALA5081575

    Name:
    (2S,5S,14S)-14-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopShow More

    Mol. Formula:
    C32H48N12O6S

    M.W.:
    728.88

    Type:
    Unknown

    AlogP:
    -0.96

    Polar Surface Area:
    299.26

    HBA:
    10

    HBD:
    11

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  14. ALA5081508

    Name:
    (3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More

    Mol. Formula:
    C31H45N9O6S

    M.W.:
    671.83

    Type:
    Unknown

    AlogP:
    0.44

    Polar Surface Area:
    237.36

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  15. ALA5081335

    Name:
    (3S,6S,15S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More

    Mol. Formula:
    C32H47N9O6S

    M.W.:
    685.85

    Type:
    Unknown

    AlogP:
    0.83

    Polar Surface Area:
    237.36

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  16. ALA5081090

    Name:
    (6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentaShow More

    Mol. Formula:
    C27H37N9O6S

    M.W.:
    615.72

    Type:
    Unknown

    AlogP:
    -0.98

    Polar Surface Area:
    237.36

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  17. ALA5079098

    Name:
    (S,E)-4-(2-(3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)acrylamido)-4-oxo-4-thioShow More

    Mol. Formula:
    C25H24ClN7O5S

    M.W.:
    570.03

    Type:
    Unknown

    AlogP:
    2.12

    Polar Surface Area:
    159.41

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  18. ALA5078472

    Name:
    (3S,6S,14S)-6-acetamido-3-(2-amino-2-oxoethyl)-N-((S)-1-(benzo[d]thiazol-2-Show More

    Mol. Formula:
    C29H40N10O7S

    M.W.:
    672.77

    Type:
    Unknown

    AlogP:
    -1.73

    Polar Surface Area:
    280.45

    HBA:
    10

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  19. ALA5077855

    Name:
    (3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More

    Mol. Formula:
    C28H39N9O6S

    M.W.:
    629.74

    Type:
    Unknown

    AlogP:
    -0.59

    Polar Surface Area:
    237.36

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  20. ALA5075263

    Name:
    (2S,5S,13S)-13-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopShow More

    Mol. Formula:
    C31H45N9O6S

    M.W.:
    671.83

    Type:
    Unknown

    AlogP:
    0.44

    Polar Surface Area:
    237.36

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
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