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  1. ALA4466947

    Name:
    (E)-4-(2,2,3-trimethylcyclopent-3-enyl)but-2-enoic acid

    Mol. Formula:
    C12H18O2

    M.W.:
    194.27

    Type:
    Unknown

    AlogP:
    3.01

    Polar Surface Area:
    37.30

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  2. ALA3315352

    Name:
    Sempervirenic acid

    Mol. Formula:
    C22H34O4

    M.W.:
    362.51

    Type:
    Small molecule

    AlogP:
    5.14

    Polar Surface Area:
    63.60

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  3. ALA3315351

    Name:
    3beta-acetoxycopalic acid

    Mol. Formula:
    C22H34O4

    M.W.:
    362.51

    Type:
    Small molecule

    AlogP:
    5.14

    Polar Surface Area:
    63.60

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
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