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  1. ALA3701196

    Name:
    US9090596, 22

    Mol. Formula:
    C22H24ClN3O7S

    M.W.:
    509.97

    Type:
    Small molecule

    AlogP:
    2.73

    Polar Surface Area:
    138.18

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  2. ALA3701193

    Name:
    US9090596, 19

    Mol. Formula:
    C20H21N3O5

    M.W.:
    383.40

    Type:
    Small molecule

    AlogP:
    1.82

    Polar Surface Area:
    102.57

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  3. ALA3701192

    Name:
    US9090596, 15

    Mol. Formula:
    C25H27N3O7

    M.W.:
    481.51

    Type:
    Small molecule

    AlogP:
    2.30

    Polar Surface Area:
    130.34

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  4. ALA3701190

    Name:
    US9090596, 12

    Mol. Formula:
    C24H26N2O6

    M.W.:
    438.48

    Type:
    Small molecule

    AlogP:
    3.66

    Polar Surface Area:
    117.87

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  5. ALA3701189

    Name:
    US9090596, 11

    Mol. Formula:
    C22H24N2O6

    M.W.:
    412.44

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    121.03

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  6. ALA3701187

    Name:
    US9090596, 7

    Mol. Formula:
    C30H35N3O8

    M.W.:
    565.62

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    147.41

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  7. ALA3701186

    Name:
    US9090596, 6

    Mol. Formula:
    C25H27N3O7

    M.W.:
    481.51

    Type:
    Small molecule

    AlogP:
    2.03

    Polar Surface Area:
    141.34

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  8. ALA3701184

    Name:
    US9090596, 3

    Mol. Formula:
    C24H27N3O6

    M.W.:
    453.50

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    121.11

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  9. ALA3701183

    Name:
    US9090596, 2

    Mol. Formula:
    C23H24FN3O6

    M.W.:
    457.46

    Type:
    Small molecule

    AlogP:
    2.47

    Polar Surface Area:
    121.11

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  10. ALA4473520

    Name:
    N1-(3-(benzofuran-2-yl)-6,7-dichloroquinoxalin-2-y
    Show More

    Cas Number:
    239095-01-3

    Mol. Formula:
    C24H26Cl2N4O

    M.W.:
    457.41

    Type:
    Unknown

    AlogP:
    6.88

    Polar Surface Area:
    54.19

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  11. ALA4106677

    Name:
    US9388149, 11

    Mol. Formula:
    C23H25N3O6

    M.W.:
    439.47

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    121.11

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  12. ALA3986396

    Name:
    US9388149, 17

    Mol. Formula:
    C20H23N3O4S

    M.W.:
    401.49

    Type:
    Small molecule

    AlogP:
    2.31

    Polar Surface Area:
    94.81

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  13. ALA3980279

    Name:
    US9388149, 13

    Mol. Formula:
    C24H25N3O5

    M.W.:
    435.48

    Type:
    Small molecule

    AlogP:
    2.77

    Polar Surface Area:
    107.97

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  14. ALA3979652

    Name:
    US9388149, 1 (Diastereoisomer 1)::US9388149, 1 (Di
    Show More

    Mol. Formula:
    C24H27N3O6

    M.W.:
    453.50

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    121.11

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  15. ALA3976863

    Name:
    US9388149, 4

    Mol. Formula:
    C29H32FN3O6S

    M.W.:
    569.66

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    117.95

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  16. ALA3973880

    Name:
    N-{4-chloro-2-hydroxy-3-[(3S)-3-pyrrolidinylsulfon
    Show More

    Mol. Formula:
    C16H16Cl2N4O4S

    M.W.:
    431.30

    Type:
    Small molecule

    AlogP:
    2.87

    Polar Surface Area:
    120.42

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  17. ALA3971309

    Name:
    N-{4-chloro-2-hydroxy-3-[(3S)-3-pyrrolidinylsulfon
    Show More

    Mol. Formula:
    C18H19ClFN3O4S

    M.W.:
    427.89

    Type:
    Small molecule

    AlogP:
    3.27

    Polar Surface Area:
    107.53

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  18. ALA3970321

    Name:
    N-[4-chloro-2-hydroxy-3-(4-piperidinylsulfonyl)-ph
    Show More

    Mol. Formula:
    C19H21ClFN3O4S

    M.W.:
    441.91

    Type:
    Small molecule

    AlogP:
    3.66

    Polar Surface Area:
    107.53

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  19. ALA3968340

    Name:
    US9388149, 3 (Enantiomer 2)

    Mol. Formula:
    C27H28FN3O6S

    M.W.:
    541.60

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    117.95

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  20. ALA3967642

    Name:
    N-(2-chloro-3-fluorophenyl)-N'-[4-chloro-2-hydroxy
    Show More

    Mol. Formula:
    C18H18Cl2FN3O4S

    M.W.:
    462.33

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    107.53

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
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