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  1. ALA5285687

    Name:
    N1-(((3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahy
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    Mol. Formula:
    C32H49N3O4

    M.W.:
    539.76

    Type:
    ---

    AlogP:
    6.13

    Polar Surface Area:
    73.87

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  2. ALA5282048

    Name:
    (3aR,5S,6R,6aR)-2,2-dimethyl-5-((7-((1,2,3,4-tetra
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    Mol. Formula:
    C27H39N3O4

    M.W.:
    469.63

    Type:
    ---

    AlogP:
    4.26

    Polar Surface Area:
    84.87

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  3. ALA5280820

    Name:
    1-ethyl-3-(6-(5-((prop-2-yn-1-ylamino)methyl)-1H-b
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    Mol. Formula:
    C18H19N7S

    M.W.:
    365.47

    Type:
    ---

    AlogP:
    1.84

    Polar Surface Area:
    79.69

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  4. ALA5288285

    Name:
    (3aR,5R,6S,6aR)-2,2-dimethyl-5-(((11-((1,2,3,4-tet
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    Mol. Formula:
    C32H49N3O4

    M.W.:
    539.76

    Type:
    ---

    AlogP:
    5.86

    Polar Surface Area:
    84.87

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  5. ALA1097650

    Name:
    ethyl cyano-N,N-dimethylphosphonamidate

    Mol. Formula:
    C5H11N2O2P

    M.W.:
    162.13

    Type:
    Small molecule

    AlogP:
    1.26

    Polar Surface Area:
    53.33

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.59

    DETAILS
  6. ALA4548035

    Name:
    (R)-2-methyl-1-(2-(4-nitrophenoxy)ethyl)-2,3-dihyd
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    Mol. Formula:
    C22H26ClN3O5

    M.W.:
    447.92

    Type:
    Unknown

    AlogP:
    4.12

    Polar Surface Area:
    85.15

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. ALA4555824

    Name:
    3-(4-hydroxyphenyl)-7-(4-(piperidin-1-yl)butoxy)-4
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    Mol. Formula:
    C24H28BrNO4

    M.W.:
    474.40

    Type:
    Unknown

    AlogP:
    4.81

    Polar Surface Area:
    62.91

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  8. ALA4541277

    Name:
    N1-(6-Deoxy-1,2:3,4-di-O-isopropylidene-alpha-D-ga
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    Mol. Formula:
    C40H49N3O5

    M.W.:
    651.85

    Type:
    Unknown

    AlogP:
    7.82

    Polar Surface Area:
    76.00

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  9. ALA5272055

    Name:
    N1-(1,2,3,4-tetrahydroacridin-9-yl)-N10-(((3aR,5R,
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    Mol. Formula:
    C35H53N3O5

    M.W.:
    595.83

    Type:
    ---

    AlogP:
    6.63

    Polar Surface Area:
    83.10

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  10. ALA5209880

    Name:
    (E)-1-benzyl-4(2-((3,4-dimethoxyphenyl)sulfonyl)vi
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    Mol. Formula:
    C22H27NO4S

    M.W.:
    401.53

    Type:
    ---

    AlogP:
    3.90

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  11. ALA5208030

    Name:
    (Z)-1-benzyl-4(2-chloro-2-((3,4-dimethoxyphenyl)su
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    Mol. Formula:
    C22H26ClNO4S

    M.W.:
    435.97

    Type:
    ---

    AlogP:
    4.47

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  12. ALA5206971

    Name:
    2-((4-Fluoro-1-(2-chlorobenzyl)piperidin-4-yl)meth
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    Mol. Formula:
    C23H27ClFNO4S

    M.W.:
    467.99

    Type:
    ---

    AlogP:
    4.45

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  13. ALA5205085

    Name:
    2-((1-(3-Chloro-4-fluorobenzyl)-4-fluoropiperidin-
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    Mol. Formula:
    C23H26ClF2NO4S

    M.W.:
    485.98

    Type:
    ---

    AlogP:
    4.59

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  14. ALA5204649

    Name:
    2-((1-Benzyl-4-fluoropiperidin-4-yl)methyl)-5,6-di
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    Mol. Formula:
    C23H28FNO4S

    M.W.:
    433.55

    Type:
    ---

    AlogP:
    3.80

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  15. ALA5204001

    Name:
    2-((1-(2,4-difluorobenzyl)-4-fluoropiperidin-4-yl)
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    Mol. Formula:
    C23H26F3NO4S

    M.W.:
    469.53

    Type:
    ---

    AlogP:
    4.07

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  16. ALA5202413

    Name:
    2-((1-benzylpiperidin-4-yl)methyl)-5,6-dimethoxy-2
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    Mol. Formula:
    C23H29NO4S

    M.W.:
    415.56

    Type:
    ---

    AlogP:
    3.70

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  17. ALA5201084

    Name:
    2-((4-Fluoro-1-(4-fluorobenzyl)piperidin-4-yl)meth
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    Mol. Formula:
    C23H27F2NO4S

    M.W.:
    451.54

    Type:
    ---

    AlogP:
    3.94

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  18. ALA5200196

    Name:
    (E)-2-((1-benzylpiperidin-4-yl)methylene)-5,6-dime
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    Mol. Formula:
    C23H27NO4S

    M.W.:
    413.54

    Type:
    ---

    AlogP:
    3.83

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  19. ALA5199752

    Name:
    2-((4-Fluoro-1-(2-fluorobenzyl)piperidin-4-yl)meth
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    Mol. Formula:
    C23H27F2NO4S

    M.W.:
    451.54

    Type:
    ---

    AlogP:
    3.94

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  20. ALA5199093

    Name:
    (E)-2-((1-benzylpiperidin-4-yl)methylene)-7,8-dime
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    Mol. Formula:
    C25H31NO4S

    M.W.:
    441.59

    Type:
    ---

    AlogP:
    4.61

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
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