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  1. ALA4757049

    Name:
    (2R)-2-Benzyl-N-(1-cyanocyclopropyl)-3-((4-(pyridi
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    Mol. Formula:
    C23H27N5O3S

    M.W.:
    453.57

    Type:
    Unknown

    AlogP:
    1.56

    Polar Surface Area:
    106.40

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  2. ALA4777335

    Name:
    N-[(1R)-1-[(1-cyanocyclopropyl)carbamoyl]-2-[4-(py
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    Mol. Formula:
    C22H32N6O4S

    M.W.:
    476.60

    Type:
    Unknown

    AlogP:
    0.63

    Polar Surface Area:
    135.50

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  3. ALA4792093

    Name:
    6-(4-(methylsulfonyl)piperazin-1-yl)-[1,2,4]triazo
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    Mol. Formula:
    C10H14N6O2S

    M.W.:
    282.33

    Type:
    Unknown

    AlogP:
    -0.79

    Polar Surface Area:
    83.70

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  4. ALA3986814

    Name:
    US9328118, 108

    Mol. Formula:
    C28H32F3N5O3

    M.W.:
    543.59

    Type:
    Small molecule

    AlogP:
    4.64

    Polar Surface Area:
    96.43

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  5. ALA3986572

    Name:
    US9328118, 76

    Mol. Formula:
    C23H24F3N5O

    M.W.:
    443.47

    Type:
    Small molecule

    AlogP:
    4.78

    Polar Surface Area:
    75.76

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  6. ALA3986133

    Name:
    US9328118, 105

    Mol. Formula:
    C31H35F3N6O3

    M.W.:
    596.65

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    96.51

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  7. ALA3985616

    Name:
    US9328118, 148

    Mol. Formula:
    C20H19F3N6O2

    M.W.:
    432.41

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    97.88

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  8. ALA3984479

    Name:
    US9328118, 23

    Mol. Formula:
    C26H28F3N5O2

    M.W.:
    499.54

    Type:
    Small molecule

    AlogP:
    4.79

    Polar Surface Area:
    84.99

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  9. ALA3984006

    Name:
    US9328118, 68

    Mol. Formula:
    C21H20F3N5O

    M.W.:
    415.42

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    86.62

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  10. ALA3983791

    Name:
    US9328118, 36

    Mol. Formula:
    C20H18F3N7O2

    M.W.:
    445.41

    Type:
    Small molecule

    AlogP:
    1.73

    Polar Surface Area:
    108.96

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  11. ALA3983448

    Name:
    US9328118, 26

    Mol. Formula:
    C23H25F3N6O

    M.W.:
    458.49

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    79.86

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  12. ALA3981661

    Name:
    US9328118, 96

    Mol. Formula:
    C25H27F3N6O2

    M.W.:
    500.53

    Type:
    Small molecule

    AlogP:
    3.70

    Polar Surface Area:
    87.28

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  13. ALA3981481

    Name:
    US9328118, 120

    Mol. Formula:
    C29H31F3N8O2

    M.W.:
    580.62

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    123.96

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  14. ALA3980817

    Name:
    US9328118, 91

    Mol. Formula:
    C23H24F3N5O

    M.W.:
    443.47

    Type:
    Small molecule

    AlogP:
    4.64

    Polar Surface Area:
    66.97

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  15. ALA3979692

    Name:
    US9328118, 141

    Mol. Formula:
    C24H26F3N7O

    M.W.:
    485.51

    Type:
    Small molecule

    AlogP:
    4.35

    Polar Surface Area:
    92.75

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  16. ALA3979251

    Name:
    US9328118, 52

    Mol. Formula:
    C27H31F3N6O2

    M.W.:
    528.58

    Type:
    Small molecule

    AlogP:
    4.92

    Polar Surface Area:
    89.09

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  17. ALA3979112

    Name:
    US9328118, 71

    Mol. Formula:
    C26H30F3N7O2

    M.W.:
    529.57

    Type:
    Small molecule

    AlogP:
    4.32

    Polar Surface Area:
    101.98

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  18. ALA3978347

    Name:
    US9328118, 78

    Mol. Formula:
    C26H28F3N5O2

    M.W.:
    499.54

    Type:
    Small molecule

    AlogP:
    5.11

    Polar Surface Area:
    84.99

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  19. ALA3975765

    Name:
    US9328118, 116

    Mol. Formula:
    C21H21F3N6O

    M.W.:
    430.43

    Type:
    Small molecule

    AlogP:
    3.69

    Polar Surface Area:
    88.65

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  20. ALA3974360

    Name:
    US9328118, 50

    Mol. Formula:
    C21H21F3N6O

    M.W.:
    430.43

    Type:
    Small molecule

    AlogP:
    3.69

    Polar Surface Area:
    88.65

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
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