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  1. ALA516735

    Name:
    (1S,5R,6R)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-enyl 2-hydroxy-6Show More

    Mol. Formula:
    C15H16O7

    M.W.:
    308.29

    Type:
    Small molecule

    AlogP:
    -0.55

    Polar Surface Area:
    124.29

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  2. ALA452149

    Name:
    Desoxyepoxydon

    Mol. Formula:
    C7H8O3

    M.W.:
    140.14

    Type:
    Small molecule

    AlogP:
    -0.36

    Polar Surface Area:
    49.83

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.47

    DETAILS
  3. ALA477749

    Name:
    Epoxydon

    Mol. Formula:
    C7H8O4

    M.W.:
    156.14

    Type:
    Small molecule

    AlogP:
    -1.38

    Polar Surface Area:
    70.06

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  4. 2-Hydroxy-6-methylbenzoic acid

    Name:
    6-methylsalicylic acid

    Mol. Formula:
    C8H8O3

    M.W.:
    152.15

    Type:
    Small molecule

    AlogP:
    1.40

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.64

    DETAILS
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