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  1. temocillin

    Name:
    Temocillin

    Mol. Formula:
    C16H18N2O7S2

    M.W.:
    414.46

    Type:
    Small molecule

    AlogP:
    0.52

    Polar Surface Area:
    133.24

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  2. ALA448170

    Name:
    illudinic acid

    Mol. Formula:
    C15H18O4

    M.W.:
    262.30

    Type:
    Small molecule

    AlogP:
    1.84

    Polar Surface Area:
    74.60

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
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