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  1. ALA448004

    Name:
    1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hex-4-en-1-one

    Mol. Formula:
    C14H18O4

    M.W.:
    250.29

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    77.76

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  2. ALA463324

    Name:
    sorrentanone

    Mol. Formula:
    C14H14O4

    M.W.:
    246.26

    Type:
    Small molecule

    AlogP:
    1.99

    Polar Surface Area:
    71.44

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
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