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  1. ALA4753259

    Name:
    6-Bromo-N,3-dimethyl-2-phenyl-N-[2-(pyridin-2-yl)e
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    Mol. Formula:
    C25H22BrN3O

    M.W.:
    460.38

    Type:
    Unknown

    AlogP:
    5.68

    Polar Surface Area:
    46.09

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  2. ALA3986829

    Name:
    2-(3-(((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(3-(hydr
    Show More

    Mol. Formula:
    C28H35ClO5

    M.W.:
    487.04

    Type:
    Small molecule

    AlogP:
    5.47

    Polar Surface Area:
    86.99

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  3. ALA3985882

    Name:
    7-((1R,2S,3R)-3-hydroxy-2-(4-(1-hydroxycyclobutyl)
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    Mol. Formula:
    C22H28O5

    M.W.:
    372.46

    Type:
    Small molecule

    AlogP:
    3.29

    Polar Surface Area:
    94.83

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  4. ALA3985691

    Name:
    7-((1R,2S,3R)-3-hydroxy-2-(3-(hydroxy(1-propylcycl
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    Mol. Formula:
    C28H41NO4

    M.W.:
    455.64

    Type:
    Small molecule

    AlogP:
    4.93

    Polar Surface Area:
    77.84

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  5. ALA3984757

    Name:
    methyl 7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(3-(h
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    Mol. Formula:
    C27H39ClO4

    M.W.:
    463.06

    Type:
    Small molecule

    AlogP:
    6.05

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  6. ALA3984438

    Name:
    3-[(3S,5aR,6R,7R,8aS)-7-Hydroxy-6-[(E,3R)-3-hydrox
    Show More

    Mol. Formula:
    C22H30O6

    M.W.:
    390.48

    Type:
    Small molecule

    AlogP:
    2.64

    Polar Surface Area:
    96.22

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  7. ALA3984132

    Name:
    methyl 2-(3-(((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(
    Show More

    Mol. Formula:
    C29H37ClO5

    M.W.:
    501.06

    Type:
    Small molecule

    AlogP:
    5.56

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  8. ALA3982726

    Name:
    4-((2R,4aR,5R,6R,7aS)-6-hydroxy-5-((R,E)-3-hydroxy
    Show More

    Cas Number:
    72657-07-9

    Mol. Formula:
    C22H30O6

    M.W.:
    390.48

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    96.22

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  9. ALA3982222

    Name:
    7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(3-(hydroxy(
    Show More

    Mol. Formula:
    C26H37ClO4

    M.W.:
    449.03

    Type:
    Small molecule

    AlogP:
    5.96

    Polar Surface Area:
    77.76

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  10. ALA3978583

    Name:
    methyl 7-((1R,2S,3R)-3-hydroxy-2-(4-(1-hydroxycycl
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    Mol. Formula:
    C23H30O5

    M.W.:
    386.49

    Type:
    Small molecule

    AlogP:
    3.38

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  11. ALA3975522

    Name:
    US9447055, I

    Cas Number:
    2005486-31-5

    Mol. Formula:
    C30H34FN3O5S2

    M.W.:
    599.75

    Type:
    Small molecule

    AlogP:
    4.33

    Polar Surface Area:
    118.80

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  12. ALA3973644

    Name:
    2-(4-((1R,2S,3R,5R)-5-chloro-2-(4-(cyclohexyl(hydr
    Show More

    Mol. Formula:
    C24H35ClO5

    M.W.:
    438.99

    Type:
    Small molecule

    AlogP:
    4.64

    Polar Surface Area:
    86.99

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  13. ALA3973312

    Name:
    7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(4-(1-hydrox
    Show More

    Mol. Formula:
    C22H31ClO4

    M.W.:
    394.94

    Type:
    Small molecule

    AlogP:
    4.23

    Polar Surface Area:
    77.76

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  14. ALA3972583

    Name:
    US9422273, 12a

    Mol. Formula:
    C29H38F4N4O5S

    M.W.:
    630.70

    Type:
    Small molecule

    AlogP:
    5.53

    Polar Surface Area:
    121.61

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  15. ALA3972401

    Name:
    7-((1R,2S,3R)-3-hydroxy-2-(3-(hydroxy(1-propylcycl
    Show More

    Mol. Formula:
    C26H38O5

    M.W.:
    430.59

    Type:
    Small molecule

    AlogP:
    5.15

    Polar Surface Area:
    94.83

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  16. ALA3805455

    Name:
    2-[(2R,4aR,5R,6R,7aS)-6-hydroxy-5-(5-phenoxypentyl
    Show More

    Mol. Formula:
    C23H29NO5S

    M.W.:
    431.55

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    88.88

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  17. ALA3805169

    Name:
    2-{(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(1E)-5-phenoxy-
    Show More

    Mol. Formula:
    C23H27NO5S

    M.W.:
    429.54

    Type:
    Small molecule

    AlogP:
    4.47

    Polar Surface Area:
    88.88

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  18. ALA3805176

    Name:
    2-{(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(1E)-4-phenoxy-
    Show More

    Mol. Formula:
    C22H25NO5S

    M.W.:
    415.51

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    88.88

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  19. ALA3804978

    Name:
    2-{(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(1E,3R)-3-hydro
    Show More

    Mol. Formula:
    C22H25NO6S

    M.W.:
    431.51

    Type:
    Small molecule

    AlogP:
    3.05

    Polar Surface Area:
    109.11

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  20. ALA3805134

    Name:
    4-((2S,4aR,5R,6R,7aS)-6-hydroxy-5-((R,E)-3-hydroxy
    Show More

    Mol. Formula:
    C22H30O6

    M.W.:
    390.48

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    96.22

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
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