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  1. ALA460117

    Name:
    macrocarpal D

    Mol. Formula:
    C28H40O6

    M.W.:
    472.62

    Type:
    Small molecule

    AlogP:
    5.72

    Polar Surface Area:
    115.06

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  2. ALA466994

    Name:
    macrocarpal C

    Mol. Formula:
    C28H38O5

    M.W.:
    454.61

    Type:
    Small molecule

    AlogP:
    6.21

    Polar Surface Area:
    94.83

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
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