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  1. ALA4879376

    Name:
    5-(4-(hydroxymethyl)benzyl)-3-(4-(thiophen-3-yl)ph
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    Mol. Formula:
    C20H16N2O2S

    M.W.:
    348.43

    Type:
    Unknown

    AlogP:
    4.55

    Polar Surface Area:
    59.15

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  2. ALA4877213

    Name:
    (S)-5-(1-amino-2-(4-hydroxyphenyl)ethyl)-3-(4-(thi
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    Mol. Formula:
    C20H17N3O2S

    M.W.:
    363.44

    Type:
    Unknown

    AlogP:
    4.41

    Polar Surface Area:
    85.17

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  3. ALA4875450

    Name:
    5-((2S-4R)-1-acetyl-4-hydroxypyrrolidin-2-yl)-3-(4
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    Mol. Formula:
    C18H17N3O3S

    M.W.:
    355.42

    Type:
    Unknown

    AlogP:
    3.12

    Polar Surface Area:
    79.46

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  4. ALA4875067

    Name:
    5-(1-amino-1-methyl-2-(4-hydroxyphenyl)ethyl)-3-(4
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    Mol. Formula:
    C21H19N3O2S

    M.W.:
    377.47

    Type:
    Unknown

    AlogP:
    4.59

    Polar Surface Area:
    85.17

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  5. ALA5285589

    Name:
    N-(5-(2'-Amino-(1,1'-biphenyl)-4-yl)-1,3,4-thiadia
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    Mol. Formula:
    C20H13Cl2N5OS

    M.W.:
    442.33

    Type:
    ---

    AlogP:
    5.41

    Polar Surface Area:
    93.79

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  6. ALA5284133

    Name:
    2-Bromo-N-(5-(3'-hydroxy-(1,1'-biphenyl)-4-yl)-1,3
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    Mol. Formula:
    C21H14BrN3O2S

    M.W.:
    452.33

    Type:
    ---

    AlogP:
    5.59

    Polar Surface Area:
    75.11

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  7. ALA5284121

    Name:
    N-(5-(2'-Amino-(1,1'-biphenyl)-4-yl)-1,3,4-thiadia
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    Mol. Formula:
    C21H15BrN4OS

    M.W.:
    451.35

    Type:
    ---

    AlogP:
    5.47

    Polar Surface Area:
    80.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  8. ALA5281193

    Name:
    N-(5-(3'-Hydroxy-(1,1'-biphenyl)-4-yl)-1,3,4-thiad
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    Mol. Formula:
    C20H15N3O3S

    M.W.:
    377.43

    Type:
    ---

    AlogP:
    4.73

    Polar Surface Area:
    88.25

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  9. ALA4868036

    Name:
    5-(1-(4-hydroxyphenyl)ethyl)-3-(4-(thiophen-3-yl)p
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    Mol. Formula:
    C20H16N2O2S

    M.W.:
    348.43

    Type:
    Unknown

    AlogP:
    5.32

    Polar Surface Area:
    59.15

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  10. ALA4866994

    Name:
    5-(2,4,5-trifluoro-3-hydroxyphenyl)-3-(4-(thiophen
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    Mol. Formula:
    C18H9F3N2O2S

    M.W.:
    374.34

    Type:
    Unknown

    AlogP:
    5.26

    Polar Surface Area:
    59.15

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  11. ALA4864712

    Name:
    5-(5-amino-2-hydroxyphenyl)-3-(4-(thiophen-3-yl)ph
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    Mol. Formula:
    C18H13N3O2S

    M.W.:
    335.39

    Type:
    Unknown

    AlogP:
    4.42

    Polar Surface Area:
    85.17

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  12. ALA4859292

    Name:
    5-(2-(3-hydroxyphenyl)ethyl)-3-(4-(thiophen-3-yl)p
    Show More

    Mol. Formula:
    C20H16N2O2S

    M.W.:
    348.43

    Type:
    Unknown

    AlogP:
    4.96

    Polar Surface Area:
    59.15

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  13. ALA4861048

    Name:
    5-(1H-indol-4-yl)-3-(4-(thiophen-3-yl)phenyl)-1,2,
    Show More

    Mol. Formula:
    C20H13N3OS

    M.W.:
    343.41

    Type:
    Unknown

    AlogP:
    5.61

    Polar Surface Area:
    54.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  14. ALA3694576

    Name:
    US8759537, 180

    Mol. Formula:
    C27H28Cl2F5N5O2

    M.W.:
    620.45

    Type:
    Small molecule

    AlogP:
    7.40

    Polar Surface Area:
    98.91

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  15. ALA3694575

    Name:
    US8759537, 179

    Mol. Formula:
    C31H31Cl3FN5O4

    M.W.:
    662.98

    Type:
    Small molecule

    AlogP:
    7.50

    Polar Surface Area:
    106.51

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  16. ALA3694574

    Name:
    US8759537, 178

    Mol. Formula:
    C30H31Cl3FN5O4

    M.W.:
    650.97

    Type:
    Small molecule

    AlogP:
    7.36

    Polar Surface Area:
    106.51

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  17. ALA3694573

    Name:
    US8759537, 177

    Mol. Formula:
    C29H28Cl3F2N5O3

    M.W.:
    638.93

    Type:
    Small molecule

    AlogP:
    7.68

    Polar Surface Area:
    97.28

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  18. ALA3694572

    Name:
    US8759537, 85

    Mol. Formula:
    C29H26Cl2F5N5O3

    M.W.:
    658.46

    Type:
    Small molecule

    AlogP:
    7.60

    Polar Surface Area:
    97.28

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  19. ALA3694571

    Name:
    US8759537, 82

    Mol. Formula:
    C31H35Cl2F5N6O3

    M.W.:
    705.56

    Type:
    Small molecule

    AlogP:
    7.81

    Polar Surface Area:
    100.52

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  20. ALA3694570

    Name:
    US8759537, 81

    Mol. Formula:
    C30H31Cl2F7N6O3

    M.W.:
    727.51

    Type:
    Small molecule

    AlogP:
    7.67

    Polar Surface Area:
    100.52

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
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