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  1. ALA3526630

    Name:
    13-Epiestradiol-17-glucuronide

    Mol. Formula:
    C24H32O8

    M.W.:
    448.51

    Type:
    Small molecule

    AlogP:
    1.53

    Polar Surface Area:
    136.68

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. ALA3526500

    Name:
    13-Epiestradiol-3-glucuronide

    Mol. Formula:
    C24H32O8

    M.W.:
    448.51

    Type:
    Small molecule

    AlogP:
    1.17

    Polar Surface Area:
    136.68

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  3. ALA1908072

    Name:
    beta-Pregnane-3a-17beta-diol-20-one

    Mol. Formula:
    C21H34O3

    M.W.:
    334.50

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  4. N-(2-Hydroxyethyl)aniline

    Name:
    N-(2-Hydroxyethyl)aniline

    Mol. Formula:
    C8H11NO

    M.W.:
    137.18

    Type:
    Small molecule

    AlogP:
    1.09

    Polar Surface Area:
    32.26

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.65

    DETAILS
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