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  1. ALA1091914

    Name:
    (S)-4-(((1-(2-(amino(iminio)methylamino)ethyl)-1H-
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    Mol. Formula:
    C20H32ClN13O5

    M.W.:
    570.02

    Type:
    Small molecule

    AlogP:
    -3.59

    Polar Surface Area:
    278.48

    HBA:
    15

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  2. ALA1091913

    Name:
    (S)-2-amino-4-((((2R,3S,4R,5R)-5-(6-amino-9H-purin
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    Mol. Formula:
    C17H23N7O5

    M.W.:
    405.42

    Type:
    Small molecule

    AlogP:
    -2.24

    Polar Surface Area:
    185.87

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  3. ALA1093967

    Name:
    (S)-tert-butyl 4-((((3aR,4R,6R,6aR)-6-(6-amino-9H-
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    Mol. Formula:
    C29H43N7O7

    M.W.:
    601.71

    Type:
    Small molecule

    AlogP:
    2.39

    Polar Surface Area:
    165.18

    HBA:
    13

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  4. ALA1093966

    Name:
    (S)-4-((5-(amino(iminio)methylamino)pentyl)(((2R,3
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    Mol. Formula:
    C20H35ClN10O5

    M.W.:
    531.02

    Type:
    Small molecule

    AlogP:
    -2.21

    Polar Surface Area:
    247.77

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  5. ALA1090536

    Name:
    (S)-4-((4-(amino(iminio)methylamino)butyl)(((2R,3S
    Show More

    Mol. Formula:
    C19H33ClN10O5

    M.W.:
    516.99

    Type:
    Small molecule

    AlogP:
    -2.61

    Polar Surface Area:
    247.77

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  6. ALA1088868

    Name:
    (S)-4-((3-(amino(iminio)methylamino)propyl)(((2R,3
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    Mol. Formula:
    C18H31ClN10O5

    M.W.:
    502.96

    Type:
    Small molecule

    AlogP:
    -3.00

    Polar Surface Area:
    247.77

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  7. ALA4755950

    Name:
    6-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-(4,5-dihydro
    Show More

    Mol. Formula:
    C22H19N5O

    M.W.:
    369.43

    Type:
    Unknown

    AlogP:
    3.28

    Polar Surface Area:
    77.71

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  8. ALA4777245

    Name:
    (Z)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-(6-(4,5-
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    Mol. Formula:
    C24H21N5O

    M.W.:
    395.47

    Type:
    Unknown

    AlogP:
    3.78

    Polar Surface Area:
    77.71

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA5209034

    Name:
    Methyl 4-Hydroxy-6-(5-(3-methylguanidino)pentanami
    Show More

    Mol. Formula:
    C19H24N4O4

    M.W.:
    372.43

    Type:
    ---

    AlogP:
    2.18

    Polar Surface Area:
    123.54

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  10. ALA5208851

    Name:
    6-(5-(3,3-Dimethylguanidino)pentanamido)-4-hydroxy
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    Mol. Formula:
    C19H24N4O4

    M.W.:
    372.43

    Type:
    ---

    AlogP:
    2.44

    Polar Surface Area:
    125.75

    HBA:
    4

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  11. ALA5208323

    Name:
    Methyl 6-(5-(3,3-Dimethylguanidino)pentanamido)-4-
    Show More

    Mol. Formula:
    C20H26N4O4

    M.W.:
    386.45

    Type:
    ---

    AlogP:
    2.53

    Polar Surface Area:
    114.75

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  12. ALA5206272

    Name:
    Methyl 6-(3-(5-(3-(((2R,3S,4R,5R)-5-(6-Amino-9H-pu
    Show More

    Mol. Formula:
    C29H36N10O7

    M.W.:
    636.67

    Type:
    ---

    AlogP:
    0.78

    Polar Surface Area:
    254.88

    HBA:
    13

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  13. ALA5206099

    Name:
    6-(3-(4-Guanidinobutyl)ureido)-4-hydroxy-2-naphtho
    Show More

    Mol. Formula:
    C17H21N5O4

    M.W.:
    359.39

    Type:
    ---

    AlogP:
    1.63

    Polar Surface Area:
    160.56

    HBA:
    4

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  14. ALA5205933

    Name:
    6-(3-(3-(1H-Imidazol-1-yl)propyl)ureido)-4-hydroxy
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    Mol. Formula:
    C18H18N4O4

    M.W.:
    354.37

    Type:
    ---

    AlogP:
    2.65

    Polar Surface Area:
    116.48

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  15. ALA5204851

    Name:
    Methyl 6-(7-Guanidinoheptanamido)-4-hydroxy-2-naph
    Show More

    Mol. Formula:
    C20H26N4O4

    M.W.:
    386.45

    Type:
    ---

    AlogP:
    2.70

    Polar Surface Area:
    137.53

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  16. ALA5203516

    Name:
    Methyl 4-Hydroxy-6-(3-(3-(3-methylguanidino)propyl
    Show More

    Mol. Formula:
    C18H23N5O4

    M.W.:
    373.41

    Type:
    ---

    AlogP:
    1.59

    Polar Surface Area:
    135.57

    HBA:
    5

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  17. ALA5203130

    Name:
    Methyl (S)-6-(2-Amino-4-(methylthio)butanamido)-4-
    Show More

    Mol. Formula:
    C17H20N2O4S

    M.W.:
    348.42

    Type:
    ---

    AlogP:
    2.35

    Polar Surface Area:
    101.65

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  18. ALA5202463

    Name:
    Methyl 6-(6-Guanidinohexanamido)-4-hydroxy-2-napht
    Show More

    Mol. Formula:
    C19H24N4O4

    M.W.:
    372.43

    Type:
    ---

    AlogP:
    2.31

    Polar Surface Area:
    137.53

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  19. ALA5202088

    Name:
    Methyl 6-(3-(4-(3-(2-((2R,3S,4R,5R)-5-(6-Amino-9H-
    Show More

    Mol. Formula:
    C29H36N10O7

    M.W.:
    636.67

    Type:
    ---

    AlogP:
    0.78

    Polar Surface Area:
    254.88

    HBA:
    13

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  20. ALA5200731

    Name:
    4-Hydroxy-6-(6-(3-methylguanidino)hexanamido)-2-na
    Show More

    Mol. Formula:
    C19H24N4O4

    M.W.:
    372.43

    Type:
    ---

    AlogP:
    2.49

    Polar Surface Area:
    134.54

    HBA:
    4

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
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