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  1. ALA1743322

    Name:
    S-Oxazepam

    Cas Number:
    40762-00-3

    Mol. Formula:
    C15H11ClN2O2

    M.W.:
    286.72

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    61.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  2. 6-Hydroxyquinoline

    Name:
    6-Hydroxyquinoline

    Cas Number:
    580-16-5

    Mol. Formula:
    C9H7NO

    M.W.:
    145.16

    Type:
    Small molecule

    AlogP:
    1.94

    Polar Surface Area:
    33.12

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.61

    DETAILS
  3. ALA1908036

    Name:
    5beta-Androstane-3alpha,17beta-diol-11-one

    Mol. Formula:
    C19H30O3

    M.W.:
    306.45

    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
  4. 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
  5. ALA1908032

    Name:
    5beta-Androstane-3alpha,11alpha,17beta-triol

    Mol. Formula:
    C19H32O3

    M.W.:
    308.46

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  6. ALA1908031

    Name:
    5beta-Androstane-3alpha,11alpha,17beta-triol

    Cas Number:
    32212-61-6

    Mol. Formula:
    C19H32O3

    M.W.:
    308.46

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  7. ALA1908028

    Name:
    5alpha-Androstane-3beta,11beta,17beta-triol

    Mol. Formula:
    C19H32O3

    M.W.:
    308.46

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  8. ALA1908026

    Name:
    5alpha-Androstane-3alpha,11beta,17beta-triol

    Mol. Formula:
    C19H32O3

    M.W.:
    308.46

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
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