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  1. ALA517037

    Name:
    (-)-agelastatin A

    Mol. Formula:
    C11H11BrN4O3

    M.W.:
    327.14

    Type:
    Small molecule

    AlogP:
    -0.32

    Polar Surface Area:
    95.39

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  2. ALA451275

    Name:
    (-)-agelastatin C

    Mol. Formula:
    C12H13BrN4O4

    M.W.:
    357.16

    Type:
    Small molecule

    AlogP:
    -0.66

    Polar Surface Area:
    106.83

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
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