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  1. ALA1078918

    Name:
    Micropeptin 478-B

    Mol. Formula:
    C41H64ClN9O17S2

    M.W.:
    1054.60

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA1078917

    Name:
    Micropeptin 478-A

    Mol. Formula:
    C41H64ClN9O14S

    M.W.:
    974.53

    Type:
    Small molecule

    AlogP:
    -1.70

    Polar Surface Area:
    349.28

    HBA:
    15

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  3. ALA4550948

    Name:
    NA

    Mol. Formula:
    C67H105N21O18S2

    M.W.:
    1556.84

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA4550530

    Name:
    benzyl (S)-5-((1r,4S)-4-(aminomethyl)cyclohexaneca
    Show More

    Mol. Formula:
    C36H43N3O6

    M.W.:
    613.76

    Type:
    Unknown

    AlogP:
    5.21

    Polar Surface Area:
    136.82

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  5. ALA4524734

    Name:
    (S)-3-(3-(aminomethyl)phenyl)-N-(4-carbamimidoylbe
    Show More

    Mol. Formula:
    C38H40N6O4S

    M.W.:
    676.84

    Type:
    Unknown

    AlogP:
    3.66

    Polar Surface Area:
    180.26

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  6. ALA4541084

    Name:
    ethyl 5-(4-((S)-3-(4-(2H-tetrazol-5-yl)phenylamino
    Show More

    Mol. Formula:
    C33H38N8O4

    M.W.:
    610.72

    Type:
    Unknown

    AlogP:
    3.84

    Polar Surface Area:
    177.87

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  7. ALA4560508

    Name:
    (13S,16R)-N-(4-(Aminomethyl)benzyl)-3,9,15-trioxo-
    Show More

    Mol. Formula:
    C48H53F9N8O12S

    M.W.:
    1137.05

    Type:
    Unknown

    AlogP:
    2.37

    Polar Surface Area:
    195.07

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  8. ALA4558203

    Name:
    NA

    Mol. Formula:
    C72H107N23O18S2

    M.W.:
    1646.93

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA4553652

    Name:
    (13S,16R)-N-(4-(Aminomethyl)benzyl)-16-((N-cyclohe
    Show More

    Mol. Formula:
    C48H60F9N9O12S

    M.W.:
    1158.11

    Type:
    Unknown

    AlogP:
    2.15

    Polar Surface Area:
    207.10

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  10. ALA4539788

    Name:
    (1r,4S)-4-(aminomethyl)-N-((S)-3-(2'-methyl-4'-(py
    Show More

    Mol. Formula:
    C35H42N6O5S

    M.W.:
    658.82

    Type:
    Unknown

    AlogP:
    4.05

    Polar Surface Area:
    170.25

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  11. ALA4089856

    Name:
    Sodium 4-Oxo-5-((4-(((4-oxo-7-(sulfonatooxy)-2-(4-
    Show More

    Mol. Formula:
    C38H22Na4O22S4

    M.W.:
    1050.80

    Type:
    Small molecule

    AlogP:
    5.12

    Polar Surface Area:
    333.28

    HBA:
    18

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  12. ALA4526664

    Name:
    rac-(2S)-2-(3-(3-((S)-2-(benzyloxycarbonylamino)-3
    Show More

    Mol. Formula:
    C39H41N5O7

    M.W.:
    691.79

    Type:
    Unknown

    AlogP:
    4.93

    Polar Surface Area:
    182.48

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  13. ALA4483688

    Name:
    NA

    Mol. Formula:
    C72H107N21O18S2

    M.W.:
    1618.91

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4476141

    Name:
    NA

    Mol. Formula:
    C48H52F9N9O12S

    M.W.:
    1150.04

    Type:
    Unknown

    AlogP:
    2.19

    Polar Surface Area:
    218.92

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  15. ALA4475211

    Name:
    7-(4-((S)-2-((1r,4S)-4-(aminomethyl)cyclohexanecar
    Show More

    Mol. Formula:
    C36H38ClN5O6

    M.W.:
    672.18

    Type:
    Unknown

    AlogP:
    4.65

    Polar Surface Area:
    183.48

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  16. ALA4474476

    Name:
    (S)-6-amino-N-(4-benzoylphenyl)-2-(4-methylphenyls
    Show More

    Mol. Formula:
    C26H29N3O4S

    M.W.:
    479.60

    Type:
    Unknown

    AlogP:
    3.64

    Polar Surface Area:
    118.36

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  17. ALA4544648

    Name:
    (S)-6-amino-2-((S)-2-((2R,3R)-2-amino-3-methylpent
    Show More

    Mol. Formula:
    C34H43N5O4

    M.W.:
    585.75

    Type:
    Unknown

    AlogP:
    3.57

    Polar Surface Area:
    156.41

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  18. ALA4521828

    Name:
    (S)-6-amino-2-(4-methylphenylsulfonamido)-N-(4-nit
    Show More

    Mol. Formula:
    C19H24N4O5S

    M.W.:
    420.49

    Type:
    Unknown

    AlogP:
    2.32

    Polar Surface Area:
    144.43

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  19. ALA4088333

    Name:
    Sodium 4-Oxo-5-(3-((4-oxo-7-(sulfonatooxy)-2-(4-(s
    Show More

    Mol. Formula:
    C33H20Na4O22S4

    M.W.:
    988.73

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    333.28

    HBA:
    18

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  20. ALA4088109

    Name:
    Sodium 4-(4-Oxo-5-((4-(((4-oxo-7-(sulfonatooxy)-2-
    Show More

    Mol. Formula:
    C38H20Na6O30S6

    M.W.:
    1286.89

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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