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  1. ALA104861

    Name:
    2-(2-Acetylamino-3-phenyl-propionylamino)-5-guanid
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    Mol. Formula:
    C25H40N8O6

    M.W.:
    548.65

    Type:
    Protein

    AlogP:
    -2.62

    Polar Surface Area:
    244.12

    HBA:
    7

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  2. ALA104404

    Name:
    2-Acetylamino-5-guanidino-pentanoic acid (1-carbam
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    Mol. Formula:
    C11H22N6O4

    M.W.:
    302.34

    Type:
    Small molecule

    AlogP:
    -3.49

    Polar Surface Area:
    185.92

    HBA:
    5

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  3. ALA106968

    Name:
    2-(2-Acetylamino-3-hydroxy-propionylamino)-3-methy
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    Cas Number:
    132765-87-8

    Mol. Formula:
    C10H19N3O4

    M.W.:
    245.28

    Type:
    Small molecule

    AlogP:
    -1.89

    Polar Surface Area:
    121.52

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  4. ALA316580

    Name:
    1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-
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    Mol. Formula:
    C25H38N8O6

    M.W.:
    546.63

    Type:
    Protein

    AlogP:
    -2.77

    Polar Surface Area:
    235.33

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  5. ALA428820

    Name:
    2-(2-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)
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    Mol. Formula:
    C30H48N10O8

    M.W.:
    676.78

    Type:
    Protein

    AlogP:
    -3.87

    Polar Surface Area:
    316.31

    HBA:
    9

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  6. Type:
    Protein

    AlogP:
    -3.88

    Polar Surface Area:
    336.62

    HBA:
    10

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  7. ALA321719

    Name:
    1-Acetyl-pyrrolidine-2-carboxylic acid (1-{1-[1-(1
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    Mol. Formula:
    C30H47N9O7

    M.W.:
    645.76

    Type:
    Protein

    AlogP:
    -2.63

    Polar Surface Area:
    264.43

    HBA:
    8

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  8. ALA322058

    Name:
    1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-
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    Mol. Formula:
    C33H52N10O9

    M.W.:
    732.84

    Type:
    Protein

    AlogP:
    -4.16

    Polar Surface Area:
    313.76

    HBA:
    10

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  9. ALA104918

    Name:
    2-Acetylamino-5-guanidino-pentanoic acid [1-(1-car
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    Mol. Formula:
    C16H31N7O5

    M.W.:
    401.47

    Type:
    Protein

    AlogP:
    -3.35

    Polar Surface Area:
    215.02

    HBA:
    6

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  10. ALA431813

    Name:
    1-Acetyl-pyrrolidine-2-carboxylic acid [1-(1-carba
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    Mol. Formula:
    C22H33N7O4

    M.W.:
    459.55

    Type:
    Protein

    AlogP:
    -1.25

    Polar Surface Area:
    186.00

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA107453

    Name:
    1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-
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    Mol. Formula:
    C10H17N3O4

    M.W.:
    243.26

    Type:
    Small molecule

    AlogP:
    -2.04

    Polar Surface Area:
    112.73

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  12. ALA322972

    Name:
    2-(2-Acetylamino-3-phenyl-propionylamino)-5-guanid
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    Mol. Formula:
    C20H31N7O5

    M.W.:
    449.51

    Type:
    Protein

    AlogP:
    -2.77

    Polar Surface Area:
    215.02

    HBA:
    6

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  13. ALA107589

    Name:
    1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-
    Show More

    Mol. Formula:
    C19H26N4O5

    M.W.:
    390.44

    Type:
    Protein

    AlogP:
    -1.31

    Polar Surface Area:
    141.83

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  14. ALA106812

    Name:
    2-(2-Acetylamino-3-methyl-butyrylamino)-pentanedio
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    Mol. Formula:
    C12H22N4O4

    M.W.:
    286.33

    Type:
    Small molecule

    AlogP:
    -1.62

    Polar Surface Area:
    144.38

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  15. ALA323292

    Name:
    1-Acetyl-pyrrolidine-2-carboxylic acid (1-carbamoy
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    Cas Number:
    60240-12-2

    Mol. Formula:
    C16H21N3O3

    M.W.:
    303.36

    Type:
    Small molecule

    AlogP:
    0.21

    Polar Surface Area:
    92.50

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  16. ALA104642

    Name:
    2-[2-(2-Acetylamino-3-hydroxy-propionylamino)-3-me
    Show More

    Mol. Formula:
    C15H27N5O6

    M.W.:
    373.41

    Type:
    Protein

    AlogP:
    -3.14

    Polar Surface Area:
    193.71

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  17. ALA321718

    Name:
    1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-
    Show More

    Mol. Formula:
    C28H43N9O8

    M.W.:
    633.71

    Type:
    Protein

    AlogP:
    -4.30

    Polar Surface Area:
    284.66

    HBA:
    9

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  18. ALA264393

    Name:
    2-{2-[2-(2-Acetylamino-5-guanidino-pentanoylamino)
    Show More

    Mol. Formula:
    C21H39N9O7

    M.W.:
    529.60

    Type:
    Protein

    AlogP:
    -4.60

    Polar Surface Area:
    287.21

    HBA:
    8

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  19. ALA321324

    Name:
    1-Acetyl-pyrrolidine-2-carboxylic acid {1-[1-(1-ca
    Show More

    Mol. Formula:
    C25H38N8O6

    M.W.:
    546.63

    Type:
    Protein

    AlogP:
    -2.77

    Polar Surface Area:
    235.33

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  20. ALA320363

    Name:
    2-(2-{2-[2-(2-{[1-(2-Acetylamino-3-hydroxy-propion
    Show More

    Mol. Formula:
    C38H60N12O11

    M.W.:
    860.97

    Type:
    Protein

    AlogP:
    -5.41

    Polar Surface Area:
    385.95

    HBA:
    12

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
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