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  1. ALA4591139

    Name:
    N-(3-((4aS,5S,7aS)-2-amino-5-(1,1-difluoroethyl)-4a,5,7,7a-tetrahydro-4H-fuShow More

    Mol. Formula:
    C21H18F6N4O2S

    M.W.:
    504.46

    Type:
    Unknown

    AlogP:
    4.42

    Polar Surface Area:
    89.60

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  2. ALA4549145

    Name:
    (4aR,10aS)-10a-(2,4-difluorophenyl)-6-(2,6-dimethylbenzyl)-9-methoxy-4a,5,1Show More

    Mol. Formula:
    C27H27F2N3OS

    M.W.:
    479.60

    Type:
    Unknown

    AlogP:
    5.25

    Polar Surface Area:
    60.50

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  3. ALA4526561

    Name:
    (4aR,10aS)-10a-(2,4-difluorophenyl)-9-methoxy-6-(4-methoxybenzyl)-4a,5,10,1Show More

    Mol. Formula:
    C26H25F2N3O2S

    M.W.:
    481.57

    Type:
    Unknown

    AlogP:
    4.64

    Polar Surface Area:
    69.73

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  4. ALA4520734

    Name:
    (4aR,10aS)-10a-(2,4-difluorophenyl)-6-((3,5-dimethylisoxazol-4-yl)methyl)-9Show More

    Mol. Formula:
    C24H24F2N4O2S

    M.W.:
    470.55

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    86.53

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  5. ALA4470897

    Name:
    (R)-5-{2-Fluoro-5-[2-fluoro-2-(5-prop-2-ynyloxy-pyrazin-2-yl)-vinyl]-phenylShow More

    Mol. Formula:
    C22H22F2N4O3S

    M.W.:
    460.51

    Type:
    Unknown

    AlogP:
    2.87

    Polar Surface Area:
    107.53

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  6. ALA4440849

    Name:
    (R)-5-{2-Fluoro-5-[2-fluoro-2-(5-prop-2-ynyloxy-pyrazin-2-yl)-vinyl]-phenylShow More

    Mol. Formula:
    C20H19F2N5O3S

    M.W.:
    447.47

    Type:
    Unknown

    AlogP:
    1.90

    Polar Surface Area:
    110.77

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  7. ALA3973891

    Name:
    US9181236, Table A, 31

    Mol. Formula:
    C15H18BrFN2O2S

    M.W.:
    389.29

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    70.02

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  8. ALA3968576

    Name:
    US9181236, Table A, 14-5

    Mol. Formula:
    C14H18ClN3O3S

    M.W.:
    343.84

    Type:
    Small molecule

    AlogP:
    1.29

    Polar Surface Area:
    105.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  9. ALA3966486

    Name:
    US9181236, Table A, 14-8

    Mol. Formula:
    C14H18ClN3O3S

    M.W.:
    343.84

    Type:
    Small molecule

    AlogP:
    1.29

    Polar Surface Area:
    105.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  10. ALA3964648

    Name:
    US9181236, 78

    Mol. Formula:
    C21H18ClF3N2O2S2

    M.W.:
    486.97

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    70.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  11. ALA3954950

    Name:
    US9242943, 37

    Mol. Formula:
    C21H22N4O2

    M.W.:
    362.43

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    81.76

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  12. ALA3938461

    Name:
    US9447085, 5

    Mol. Formula:
    C19H23FN6O4S

    M.W.:
    450.50

    Type:
    Small molecule

    AlogP:
    1.66

    Polar Surface Area:
    129.00

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  13. ALA3938419

    Name:
    US9181236, Table A, 12

    Mol. Formula:
    C14H18FN3O2S

    M.W.:
    311.38

    Type:
    Small molecule

    AlogP:
    1.54

    Polar Surface Area:
    96.04

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  14. ALA3923980

    Name:
    US9181236, Table A, 22

    Mol. Formula:
    C16H22FN3O2S

    M.W.:
    339.44

    Type:
    Small molecule

    AlogP:
    2.32

    Polar Surface Area:
    96.04

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  15. ALA3915097

    Name:
    US9181236, Table A, 16

    Mol. Formula:
    C15H18FN3O4S

    M.W.:
    355.39

    Type:
    Small molecule

    AlogP:
    2.26

    Polar Surface Area:
    113.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. ALA3912220

    Name:
    US9242943, 46

    Mol. Formula:
    C21H22N4O2

    M.W.:
    362.43

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    85.67

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  17. ALA3704774

    Name:
    US9096541, 3511

    Mol. Formula:
    C34H48N6O5S

    M.W.:
    652.86

    Type:
    Small molecule

    AlogP:
    4.15

    Polar Surface Area:
    136.01

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  18. ALA3704773

    Name:
    US9096541, 2611

    Mol. Formula:
    C38H46N4O7S

    M.W.:
    702.87

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    157.30

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  19. ALA3704772

    Name:
    US9096541, 2211

    Mol. Formula:
    C24H32N4O2

    M.W.:
    408.55

    Type:
    Small molecule

    AlogP:
    4.43

    Polar Surface Area:
    79.95

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  20. ALA3704771

    Name:
    US9096541, 711

    Mol. Formula:
    C36H48IN5O7S

    M.W.:
    821.78

    Type:
    Small molecule

    AlogP:
    2.99

    Polar Surface Area:
    177.17

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
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