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  1. ALA4475300

    Name:
    (1R,3aR,5aR,5bR,7aS,9S,11R,11aR,13aR,13bR)-3a,5a,5
    Show More

    Mol. Formula:
    C30H50O2

    M.W.:
    442.73

    Type:
    Unknown

    AlogP:
    7.00

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  2. ALA4474936

    Name:
    ethyl 2-(5-(4-chlorophenyl)-6-(4-(methylsulfonyl)p
    Show More

    Mol. Formula:
    C20H18ClN3O4S2

    M.W.:
    463.97

    Type:
    Unknown

    AlogP:
    3.92

    Polar Surface Area:
    99.11

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  3. ALA4474290

    Name:
    (Z)-5-(4-((1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-
    Show More

    Mol. Formula:
    C20H16N4O3S2

    M.W.:
    424.51

    Type:
    Unknown

    AlogP:
    3.34

    Polar Surface Area:
    78.27

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  4. ALA4540611

    Name:
    5-((3-(4-methoxyphenyl)-1-(4-(methylsulfonyl)pheny
    Show More

    Mol. Formula:
    C21H17N3O5S2

    M.W.:
    455.52

    Type:
    Unknown

    AlogP:
    3.28

    Polar Surface Area:
    107.36

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  5. ALA4540374

    Name:
    [18F]-4-(5-(1-((4-fluoro-3,5-dimethylpyridin-2-yl)
    Show More

    Mol. Formula:
    C25H21FN6O3S

    M.W.:
    503.55

    Type:
    Unknown

    AlogP:
    4.11

    Polar Surface Area:
    129.79

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  6. ALA4539426

    Name:
    3-(4-hydroxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop
    Show More

    Mol. Formula:
    C18H20O5

    M.W.:
    316.35

    Type:
    Unknown

    AlogP:
    3.23

    Polar Surface Area:
    64.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  7. ALA4538175

    Name:
    1-(4-Hydroxyethylphenyl)-5-(4-(methylsulfonyl)phen
    Show More

    Mol. Formula:
    C16H16N4O3S

    M.W.:
    344.40

    Type:
    Unknown

    AlogP:
    1.27

    Polar Surface Area:
    97.97

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  8. ALA4537621

    Name:
    2-methoxy-6-(2-(methylsulfonyl)ethyl)naphthalene

    Mol. Formula:
    C14H16O3S

    M.W.:
    264.35

    Type:
    Unknown

    AlogP:
    2.44

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  9. ALA4521668

    Name:
    (Z)-5-(4-((1-(2-(4-chlorophenyl)-2-oxoethyl)-1H-1,
    Show More

    Mol. Formula:
    C21H15ClN4O4S

    M.W.:
    454.90

    Type:
    Unknown

    AlogP:
    3.72

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  10. ALA4520818

    Name:
    4-(4-(2-chlorobenzylidene)-2-(4-chlorophenyl)-5-ox
    Show More

    Mol. Formula:
    C22H15Cl2N3O3S

    M.W.:
    472.35

    Type:
    Unknown

    AlogP:
    4.48

    Polar Surface Area:
    92.83

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  11. ALA4535128

    Name:
    (Z)-4-(4-((4-((2,4-dioxothiazolidin-5-ylidene)meth
    Show More

    Mol. Formula:
    C20H14N4O5S

    M.W.:
    422.42

    Type:
    Unknown

    AlogP:
    2.87

    Polar Surface Area:
    123.41

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  12. ALA4533150

    Name:
    2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)-1H
    Show More

    Mol. Formula:
    C22H17FO2S

    M.W.:
    364.44

    Type:
    Unknown

    AlogP:
    4.74

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  13. ALA4559991

    Name:
    (Z)-5-(4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)
    Show More

    Mol. Formula:
    C19H14N4O2S2

    M.W.:
    394.48

    Type:
    Unknown

    AlogP:
    3.34

    Polar Surface Area:
    69.04

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA4557726

    Name:
    4-(4-Methoxyphenyl)-5-methyl-3-(4-nitrophenyl)isox
    Show More

    Mol. Formula:
    C17H14N2O4

    M.W.:
    310.31

    Type:
    Unknown

    AlogP:
    4.23

    Polar Surface Area:
    78.40

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  15. ALA4555690

    Name:
    ethyl 2-(6-(4-(methylsulfonyl)phenyl)-5-phenyl-1,2
    Show More

    Mol. Formula:
    C20H19N3O4S2

    M.W.:
    429.52

    Type:
    Unknown

    AlogP:
    3.26

    Polar Surface Area:
    99.11

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  16. ALA4552843

    Name:
    (6aS,6bR,8aS,11S,12bS,14aR)-2-hydroxy-3-methoxy-6b
    Show More

    Mol. Formula:
    C30H44O5

    M.W.:
    484.68

    Type:
    Unknown

    AlogP:
    6.85

    Polar Surface Area:
    64.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  17. ALA4570970

    Name:
    (Z)-5-(4-((1-benzyl-1H-1,2,3-triazol-4-yl)methoxy)
    Show More

    Mol. Formula:
    C20H16N4O3S

    M.W.:
    392.44

    Type:
    Unknown

    AlogP:
    3.23

    Polar Surface Area:
    86.11

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  18. ALA4530072

    Name:
    (Z)-5-(4-((1-(4-chlorophenyl)-1H-1,2,3-triazol-4-y
    Show More

    Mol. Formula:
    C19H13ClN4O2S2

    M.W.:
    428.93

    Type:
    Unknown

    AlogP:
    3.99

    Polar Surface Area:
    69.04

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  19. ALA4529874

    Name:
    (S)-methyl 1-(2-((S)-2-(benzyloxycarbonylamino)pro
    Show More

    Mol. Formula:
    C19H25N3O6

    M.W.:
    391.42

    Type:
    Unknown

    AlogP:
    0.58

    Polar Surface Area:
    114.04

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  20. Type:
    Unknown

    AlogP:
    2.20

    Polar Surface Area:
    95.94

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
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