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  1. ALA1160513

    Name:
    3-[4-(4-Carbamimidoyl-phenylamino)-butyrylamino]-p
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    Mol. Formula:
    C16H22N4O3

    M.W.:
    318.38

    Type:
    Small molecule

    AlogP:
    1.31

    Polar Surface Area:
    128.30

    HBA:
    4

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA1160511

    Name:
    (Aminobenzamidino)succinyl analogue

    Mol. Formula:
    C17H22N4O4

    M.W.:
    346.39

    Type:
    Small molecule

    AlogP:
    0.86

    Polar Surface Area:
    136.58

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  3. ALA1160510

    Name:
    3-[5-(4-Carbamimidoyl-phenyl)-pent-4-enoylamino]-p
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    Mol. Formula:
    C17H21N3O3

    M.W.:
    315.37

    Type:
    Small molecule

    AlogP:
    1.91

    Polar Surface Area:
    116.27

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  4. ALA1160229

    Name:
    3-{2-[(S)-4-(3-Guanidino-propyl)-2,5-dioxo-imidazo
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    Mol. Formula:
    C23H27N7O6

    M.W.:
    497.51

    Type:
    Small molecule

    AlogP:
    -0.68

    Polar Surface Area:
    206.81

    HBA:
    6

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  5. ALA1160228

    Name:
    3-(2-{(S)-4-[3-(1H-Benzoimidazol-2-ylamino)-propyl
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    Mol. Formula:
    C26H29N7O7

    M.W.:
    551.56

    Type:
    Small molecule

    AlogP:
    1.17

    Polar Surface Area:
    194.85

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  6. ALA1160227

    Name:
    3-[2-((S)-4-{[(1H-Benzoimidazol-2-ylmethyl)-carbam
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    Mol. Formula:
    C26H27N7O8

    M.W.:
    565.54

    Type:
    Small molecule

    AlogP:
    -0.01

    Polar Surface Area:
    211.92

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  7. ALA1160226

    Name:
    2-Benzyloxycarbonylamino-3-(2-{(S)-4-[N'-(4,5-dihy
    Show More

    Mol. Formula:
    C21H26N8O8

    M.W.:
    518.49

    Type:
    Small molecule

    AlogP:
    -2.63

    Polar Surface Area:
    219.66

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  8. ALA1160225

    Name:
    2-Benzyloxycarbonylamino-3-(2-{(S)-2,5-dioxo-4-[3-
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    Mol. Formula:
    C23H27N7O7

    M.W.:
    513.51

    Type:
    Small molecule

    AlogP:
    0.08

    Polar Surface Area:
    191.95

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  9. ALA1160224

    Name:
    2-Benzyloxycarbonylamino-3-(2-{(S)-4-[3-(4,5-dihyd
    Show More

    Mol. Formula:
    C22H29N7O7

    M.W.:
    503.52

    Type:
    Small molecule

    AlogP:
    -1.27

    Polar Surface Area:
    190.56

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  10. ALA1160223

    Name:
    2-Benzyloxycarbonylamino-3-{2-[(S)-4-(4-guanidino-
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    Mol. Formula:
    C21H29N7O7

    M.W.:
    491.51

    Type:
    Small molecule

    AlogP:
    -0.94

    Polar Surface Area:
    216.04

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  11. ALA1160222

    Name:
    2-Benzyloxycarbonylamino-3-{2-[(S)-4-(2-guanidino-
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    Mol. Formula:
    C19H25N7O7

    M.W.:
    463.45

    Type:
    Small molecule

    AlogP:
    -1.72

    Polar Surface Area:
    216.04

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  12. ALA1160221

    Name:
    3-{2-[(S)-4-(3-Guanidino-propyl)-2,5-dioxo-imidazo
    Show More

    Mol. Formula:
    C21H29N7O6

    M.W.:
    475.51

    Type:
    Small molecule

    AlogP:
    -1.51

    Polar Surface Area:
    206.81

    HBA:
    6

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  13. ALA1160220

    Name:
    2-Benzyloxycarbonylamino-3-{2-[(S)-4-(3-guanidino-
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    Mol. Formula:
    C20H27N7O7

    M.W.:
    477.48

    Type:
    Small molecule

    AlogP:
    -1.33

    Polar Surface Area:
    216.04

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  14. ALA1160219

    Name:
    2-(Butane-1-sulfonylamino)-3-{2-[(S)-4-(3-guanidin
    Show More

    Mol. Formula:
    C16H29N7O7S

    M.W.:
    463.52

    Type:
    Small molecule

    AlogP:
    -2.75

    Polar Surface Area:
    226.38

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  15. ALA1160217

    Name:
    2-Benzyloxycarbonylamino-3-[2-((S)-4-guanidinometh
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    Mol. Formula:
    C18H23N7O7

    M.W.:
    449.42

    Type:
    Small molecule

    AlogP:
    -2.11

    Polar Surface Area:
    216.04

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  16. ALA1160216

    Name:
    2-(3-Benzyl-ureido)-3-{2-[(S)-4-(3-guanidino-propy
    Show More

    Mol. Formula:
    C20H28N8O6

    M.W.:
    476.49

    Type:
    Small molecule

    AlogP:
    -1.76

    Polar Surface Area:
    218.84

    HBA:
    6

    HBD:
    8

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  17. ALA1160215

    Name:
    2-(3-Benzyl-thioureido)-3-{2-[(S)-4-(3-guanidino-p
    Show More

    Mol. Formula:
    C20H28N8O5S

    M.W.:
    492.56

    Type:
    Small molecule

    AlogP:
    -1.18

    Polar Surface Area:
    202.10

    HBA:
    6

    HBD:
    8

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  18. ALA4777693

    Name:
    (S)-4-(2-Carboxy-4-oxoazetidine-1-carboxamidomethy
    Show More

    Mol. Formula:
    C14H14F3N3O6

    M.W.:
    377.28

    Type:
    Unknown

    AlogP:
    0.16

    Polar Surface Area:
    112.73

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  19. ALA4764510

    Name:
    3-(2-(4-Oxo-(o-tolylcarbamoyl)azetidin-2-yl)acetam
    Show More

    Mol. Formula:
    C16H19N3O5

    M.W.:
    333.34

    Type:
    Unknown

    AlogP:
    1.11

    Polar Surface Area:
    115.81

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  20. ALA4794300

    Name:
    4-(2-(Carboxymethyl)-4-oxoazetidine-1-carboxamidom
    Show More

    Mol. Formula:
    C15H16F3N3O6

    M.W.:
    391.30

    Type:
    Unknown

    AlogP:
    0.55

    Polar Surface Area:
    112.73

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
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