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  1. ALA4590333

    Name:
    (S)-6-(2,3-Difluoro-5-(2-(1-methylazetidin-2-yl)ethyl)phenethyl)-4-methylpyShow More

    Mol. Formula:
    C20H25F2N3

    M.W.:
    345.44

    Type:
    Unknown

    AlogP:
    3.67

    Polar Surface Area:
    42.15

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  2. ALA3675254

    Name:
    US8618286, 27

    Mol. Formula:
    C17H22N4S2

    M.W.:
    346.53

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    44.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  3. ALA3675253

    Name:
    US8618286, 26

    Mol. Formula:
    C17H22N4OS2

    M.W.:
    362.52

    Type:
    Small molecule

    AlogP:
    2.28

    Polar Surface Area:
    73.88

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  4. ALA3675251

    Name:
    US8618286, 24

    Mol. Formula:
    C17H22N4S2

    M.W.:
    346.53

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    53.65

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA3675250

    Name:
    US8618286, 22

    Mol. Formula:
    C18H24N4S2

    M.W.:
    360.55

    Type:
    Small molecule

    AlogP:
    3.65

    Polar Surface Area:
    44.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  6. ALA3675249

    Name:
    US8618286, 21

    Mol. Formula:
    C20H26N4S2

    M.W.:
    386.59

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    44.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  7. ALA3675247

    Name:
    US8618286, 19

    Mol. Formula:
    C17H22N4OS

    M.W.:
    330.46

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    58.00

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  8. ALA3675245

    Name:
    US8618286, 17

    Mol. Formula:
    C18H22N4O2S2

    M.W.:
    390.53

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    82.16

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  9. ALA3675243

    Name:
    US8618286, 15

    Mol. Formula:
    C19H26N4S2

    M.W.:
    374.58

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    44.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  10. ALA3675242

    Name:
    US8618286, 14

    Mol. Formula:
    C20H26N4S2

    M.W.:
    386.59

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    44.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  11. ALA3675241

    Name:
    US8618286, 13

    Mol. Formula:
    C20H26N4S2

    M.W.:
    386.59

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    44.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  12. ALA3675237

    Name:
    US8618286, 9

    Mol. Formula:
    C17H22N4OS

    M.W.:
    330.46

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    54.09

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  13. ALA3675236

    Name:
    US8618286, 8

    Mol. Formula:
    C16H20N4S2

    M.W.:
    332.50

    Type:
    Small molecule

    AlogP:
    2.92

    Polar Surface Area:
    53.65

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  14. ALA3675235

    Name:
    US8618286, 7

    Mol. Formula:
    C17H22N4OS

    M.W.:
    330.46

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    62.88

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  15. ALA3675233

    Name:
    US8618286, 5

    Mol. Formula:
    C17H20N4O2S

    M.W.:
    344.44

    Type:
    Small molecule

    AlogP:
    2.07

    Polar Surface Area:
    71.16

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  16. ALA3675232

    Name:
    US8618286, 4

    Mol. Formula:
    C19H24N4OS

    M.W.:
    356.49

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    54.09

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  17. ALA3675231

    Name:
    US8618286, 3

    Mol. Formula:
    C19H22N4O2S

    M.W.:
    370.48

    Type:
    Small molecule

    AlogP:
    2.61

    Polar Surface Area:
    71.16

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  18. ALA3675230

    Name:
    US8618286, 2

    Mol. Formula:
    C20H26N4OS

    M.W.:
    370.52

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    54.09

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  19. ALA3645488

    Name:
    US8586620, 115

    Mol. Formula:
    C21H19N3S

    M.W.:
    345.47

    Type:
    Small molecule

    AlogP:
    4.98

    Polar Surface Area:
    43.31

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  20. ALA3645487

    Name:
    US8586620, 137

    Mol. Formula:
    C19H21FN4S

    M.W.:
    356.47

    Type:
    Small molecule

    AlogP:
    4.02

    Polar Surface Area:
    57.41

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
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