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  1. ALA480468

    Name:
    3,4-dihydroxy-5-(3'-methyl-4'-oxobut-2-enyl)benzaldehyde

    Mol. Formula:
    C12H12O4

    M.W.:
    220.22

    Type:
    Small molecule

    AlogP:
    1.60

    Polar Surface Area:
    74.60

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
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