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Compounds

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  1. ALA1908077

    Name:
    2-Methoxyestriol

    Mol. Formula:
    C19H26O4

    M.W.:
    318.41

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    69.92

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  2. ALA1908076

    Name:
    6a-Hydroxyestrone

    Mol. Formula:
    C18H22O3

    M.W.:
    286.37

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  3. ALA1908046

    Name:
    5beta-Pregnan-3a,11beta,17a,20beta,21-pentol

    Mol. Formula:
    C21H36O5

    M.W.:
    368.51

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    1.45

    Polar Surface Area:
    101.15

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  4. ALA1908044

    Name:
    5beta-Pregnan-3a,17beta,20a-triol-11-one

    Mol. Formula:
    C21H34O4

    M.W.:
    350.50

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    77.76

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  5. Tetrahydrocortisone

    Name:
    Tetrahydrocortisone

    Mol. Formula:
    C21H32O5

    M.W.:
    364.48

    6  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    1.86

    Polar Surface Area:
    94.83

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  6. ALA1908042

    Name:
    5beta-Pregnan-3a,17a,20beta,21-tetrol-11-one

    Mol. Formula:
    C21H34O5

    M.W.:
    366.50

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    1.65

    Polar Surface Area:
    97.99

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  7. ALA1908041

    Name:
    5beta-Pregnan-3a,17a,20a-triol

    Mol. Formula:
    C21H36O3

    M.W.:
    336.52

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.50

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  8. ALA1908040

    Name:
    5beta-Pregnan-3a,11beta,21-triol-20-one

    Mol. Formula:
    C21H34O4

    M.W.:
    350.50

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    2.54

    Polar Surface Area:
    77.76

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  9. ALA1908039

    Name:
    5beta-Pregnan-3a,11beta,17a-triol-20-one

    Mol. Formula:
    C21H34O4

    M.W.:
    350.50

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    77.76

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  10. ALA1908027

    Name:
    5alpha-Androstane-3alpha,16alpha-diol-17-one

    Mol. Formula:
    C19H30O3

    M.W.:
    306.45

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
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