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  1. ALA5280689

    Name:
    (1r,3s,5R,7S)-3-(2-(1,1-dioxido-6-(2,4,6-trichloro
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    Mol. Formula:
    C22H27Cl3N4O4S

    M.W.:
    549.91

    Type:
    ---

    AlogP:
    3.34

    Polar Surface Area:
    112.81

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  2. ALA5289930

    Name:
    N-((1s,3r,5R,7S)-3-carbamoyladamantan-1-yl)-3-((2-
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    Mol. Formula:
    C21H26FN3O4S2

    M.W.:
    467.59

    Type:
    ---

    AlogP:
    1.83

    Polar Surface Area:
    109.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  3. ALA5271419

    Name:
    N-(adamantan-1-yl)thiazolidine-2-carboxamide

    Mol. Formula:
    C14H22N2OS

    M.W.:
    266.41

    Type:
    ---

    AlogP:
    1.73

    Polar Surface Area:
    41.13

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.80

    DETAILS
  4. ALA4091525

    Name:
    (5S,8R,9R,10S,12R,13S,14R,17S)-4,4,8,10,14-Pentame
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    Mol. Formula:
    C22H36O2

    M.W.:
    332.53

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  5. ALA4087910

    Name:
    (3S,5R,8R,9R,10R,12R,13S,14R,17R)-4,4,8,10,14-pent
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    Mol. Formula:
    C22H38O3

    M.W.:
    350.54

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA4086967

    Name:
    5b,9,9,11a,11b-pentamethyloctadecahydronaphtho[2',
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    Mol. Formula:
    C23H38O2

    M.W.:
    346.56

    Type:
    Small molecule

    AlogP:
    5.04

    Polar Surface Area:
    29.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  7. ALA4083743

    Name:
    (3S,3aS,4R,5aR,6R,9aR,9bR)-7-(2-hydroxypropan-2-yl
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    Mol. Formula:
    C22H40O4

    M.W.:
    368.56

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    80.92

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  8. ALA4081242

    Name:
    Colletonic acid

    Mol. Formula:
    C15H24O3

    M.W.:
    252.35

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.74

    DETAILS
  9. ALA4066172

    Name:
    (3S,5R,8R,9R,10R,12R,13R,14R)-4,4,8,10,14-Pentamet
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    Mol. Formula:
    C26H40O5

    M.W.:
    432.60

    Type:
    Small molecule

    AlogP:
    5.10

    Polar Surface Area:
    69.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  10. ALA4066034

    Name:
    (2S,4aR,4bR,6R,8S,8aR,10aR)-1,1,4a,8,8a-pentamethy
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    Mol. Formula:
    C28H44O6

    M.W.:
    476.65

    Type:
    Small molecule

    AlogP:
    5.45

    Polar Surface Area:
    86.74

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  11. ALA4065535

    Name:
    (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-(hydroxymethy
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    Mol. Formula:
    C23H40O3

    M.W.:
    364.57

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  12. ALA4085474

    Name:
    (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-Chloro-4,4,8,
    Show More

    Mol. Formula:
    C26H41ClO4

    M.W.:
    453.06

    Type:
    Small molecule

    AlogP:
    6.14

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  13. ALA4084915

    Name:
    (3S,5R,8R,9R,10R,12R,13S,14R,17S)-4,4,8,10,14-Pent
    Show More

    Mol. Formula:
    C22H38O3

    M.W.:
    350.54

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  14. ALA4084460

    Name:
    (3S,5R,8R,9R,10R,12R,14S)-4,4,8,10,14-Pentamethyl-
    Show More

    Mol. Formula:
    C22H36O2

    M.W.:
    332.53

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  15. ALA4064979

    Name:
    (2S,4aR,4bR,6R,8S,8aR,10aR)-6-Hydroxy-1,1,4a,8,8a-
    Show More

    Mol. Formula:
    C26H42O5

    M.W.:
    434.62

    Type:
    Small molecule

    AlogP:
    4.88

    Polar Surface Area:
    80.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. ALA4297286

    Name:
    HSD-016

    Cas Number:
    946396-92-5

    Mol. Formula:
    C21H21F7N2O3S

    M.W.:
    514.46

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    60.85

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  17. ALA4103361

    Name:
    (3S,5R,8R,9R,10R,14S)-3-Hydroxy-4,4,8,10,14-pentam
    Show More

    Mol. Formula:
    C22H34O2

    M.W.:
    330.51

    Type:
    Small molecule

    AlogP:
    4.91

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  18. ALA4102864

    Name:
    (3S,5R,8R,9R,10R,12R,13S,14R,17S)-12,17-Dihydroxy-
    Show More

    Mol. Formula:
    C24H40O4

    M.W.:
    392.58

    Type:
    Small molecule

    AlogP:
    4.32

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  19. ALA4102413

    Name:
    (3S,5R,8R,9R,10R,12R,13R,14R)-4,4,8,10,14-Pentamet
    Show More

    Mol. Formula:
    C22H38O2

    M.W.:
    334.54

    Type:
    Small molecule

    AlogP:
    4.78

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  20. ALA4100206

    Name:
    3-((3S,3aS,4R,5aR,6R,9aR,9bR)-3,4-dihydroxy-7-(2-h
    Show More

    Mol. Formula:
    C22H38O5

    M.W.:
    382.54

    Type:
    Small molecule

    AlogP:
    3.20

    Polar Surface Area:
    97.99

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
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