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  1. ALA5316200

    Name:
    Endo-Norborneol

    Mol. Formula:
    C7H12O

    M.W.:
    112.17

    Type:
    ---

    AlogP:
    1.17

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.50

    DETAILS
  2. (-)-Borneol

    Name:
    1,7,7-Trimethyl-bicyclo[2.2.1]heptan-2-ol

    Mol. Formula:
    C10H18O

    M.W.:
    154.25

    Type:
    Small molecule

    AlogP:
    2.19

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.57

    DETAILS
  3. ALA1908108

    Name:
    C-posaconazole

    Mol. Formula:
    C37H42F2N8O4

    M.W.:
    702.78

    Type:
    Small molecule

    AlogP:
    4.57

    Polar Surface Area:
    115.70

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  4. ALA1908078

    Name:
    4-Pregnene-17a-ol-3,20-dione

    Mol. Formula:
    C20H28O3

    M.W.:
    316.44

    Type:
    Small molecule

    AlogP:
    3.45

    Polar Surface Area:
    54.37

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  5. ALA1908045

    Name:
    5beta-Pregnan-3a,20a-diol

    Mol. Formula:
    C21H36O2

    M.W.:
    320.52

    Type:
    Small molecule

    AlogP:
    4.39

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  6. ALA1908035

    Name:
    5beta-Androstane-3alpha,16alpha-diol-17-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
  7. ALA1908030

    Name:
    5alpha-Pregnan-3beta,20beta-diol

    Mol. Formula:
    C21H36O2

    M.W.:
    320.52

    Type:
    Small molecule

    AlogP:
    4.39

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  8. ALA1908029

    Name:
    5a-Pregnan-3a,20a-diol

    Mol. Formula:
    C21H36O2

    M.W.:
    320.52

    Type:
    Small molecule

    AlogP:
    4.39

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  9. 5-(4-Hydroxyphenyl)-5-phenylhydantoin

    Name:
    5-(p-OH-phenyl)-5-phenylhydantoin

    Mol. Formula:
    C15H12N2O3

    M.W.:
    268.27

    Type:
    Small molecule

    AlogP:
    1.48

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  10. ALA1908020

    Name:
    5-(m-OH-phenyl)-5-phenylhydantoin

    Mol. Formula:
    C15H12N2O3

    M.W.:
    268.27

    Type:
    Small molecule

    AlogP:
    1.48

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  11. 21-Hydroxypregnenolone

    Name:
    21-Hydroxypregnenolone

    Mol. Formula:
    C21H32O3

    M.W.:
    332.48

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  12. ALA1908009

    Name:
    19-Hydroxypregnenolone

    Mol. Formula:
    C21H32O3

    M.W.:
    332.48

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  13. ALA1908004

    Name:
    16alpha-Hydroxypregnenolone

    Mol. Formula:
    C21H32O3

    M.W.:
    332.48

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  14. Bicyclo[2.2.1]heptan-2-ol

    Name:
    (+/-) Exo-Norborneol

    Mol. Formula:
    C7H12O

    M.W.:
    112.17

    Type:
    Small molecule

    AlogP:
    1.17

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.50

    DETAILS
  15. Fenchyl Alcohol

    Name:
    Fenchyl Alcohol

    Mol. Formula:
    C10H18O

    M.W.:
    154.25

    Type:
    Small molecule

    AlogP:
    2.19

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.57

    DETAILS
  16. ALA1907992

    Name:
    (-) Carveol

    Mol. Formula:
    C10H16O

    M.W.:
    152.24

    Type:
    Small molecule

    AlogP:
    2.28

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.57

    DETAILS
  17. (+)-Neomenthol

    Name:
    (+) Neomenthol

    Mol. Formula:
    C10H20O

    M.W.:
    156.27

    Type:
    Small molecule

    AlogP:
    2.44

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.62

    DETAILS
  18. Thonzylamine

    Name:
    Thonzylamine

    Mol. Formula:
    C16H22N4O

    M.W.:
    286.38

    Type:
    Small molecule

    AlogP:
    2.05

    Polar Surface Area:
    41.49

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  19. ALA40294

    Name:
    10,13,17-Trimethyl-hexadecahydro-cyclopenta[a]phenanthrene-3,17-diol

    Mol. Formula:
    C20H34O2

    M.W.:
    306.49

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  20. tigogenin

    Name:
    4a,5',6a,7-tetramethyl-(4aS,4bS,5'R,6aS,6bR,7S,8'R,9aS,10aS,10bR,12aS)-spirShow More

    Mol. Formula:
    C27H44O3

    M.W.:
    416.65

    Type:
    Small molecule

    AlogP:
    5.79

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
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