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  1. ALA3989198

    Name:
    GSK2373693

    Mol. Formula:
    C18H19Cl2N5O2

    M.W.:
    408.29

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    64.66

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  2. ALA3989172

    Name:
    SKF-104493

    Cas Number:
    111908-95-3

    Mol. Formula:
    C18H17N3O

    M.W.:
    291.35

    Type:
    Small molecule

    AlogP:
    3.57

    Polar Surface Area:
    39.94

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  3. ALA3989111

    Name:
    SB-731254-M

    Mol. Formula:
    C22H15F5N4O3S

    M.W.:
    510.44

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    80.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  4. ALA3988876

    Name:
    SB-735216

    Mol. Formula:
    C13H12N4

    M.W.:
    224.27

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    43.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  5. ALA3988866

    Name:
    SKF-105942

    Cas Number:
    122454-53-9

    Mol. Formula:
    C18H17N3O2S

    M.W.:
    339.42

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    64.85

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  6. ALA3988849

    Name:
    SB-229482

    Mol. Formula:
    C24H30FN7

    M.W.:
    435.55

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    70.90

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  7. ALA3988848

    Name:
    GW854278

    Mol. Formula:
    C20H17BrN4O4S

    M.W.:
    489.35

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    101.49

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  8. ALA3988771

    Name:
    SB-736398

    Mol. Formula:
    C13H12N4

    M.W.:
    224.27

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    43.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  9. ALA3988674

    Name:
    GSK2373690

    Mol. Formula:
    C20H22F3N5O2

    M.W.:
    421.42

    Type:
    Small molecule

    AlogP:
    2.80

    Polar Surface Area:
    64.66

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  10. ALA537316

    Name:
    GW440148

    Mol. Formula:
    C29H24N4O2

    M.W.:
    460.54

    Type:
    Small molecule

    AlogP:
    6.58

    Polar Surface Area:
    76.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  11. ALA537067

    Name:
    GW440137

    Mol. Formula:
    C21H15N5

    M.W.:
    337.39

    Type:
    Small molecule

    AlogP:
    4.92

    Polar Surface Area:
    66.49

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  12. ALA534762

    Name:
    GSK2181306

    Mol. Formula:
    C19H20N6O3S

    M.W.:
    412.48

    Type:
    Small molecule

    AlogP:
    1.17

    Polar Surface Area:
    128.87

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  13. ALA579510

    Name:
    GSK1653539

    Mol. Formula:
    C24H26N6O3S

    M.W.:
    478.58

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    120.24

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA546641

    Name:
    SB-684387

    Mol. Formula:
    C25H24ClN3O2

    M.W.:
    433.94

    Type:
    Small molecule

    AlogP:
    5.71

    Polar Surface Area:
    61.38

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  15. ALA547471

    Name:
    GW525701

    Mol. Formula:
    C22H17N5S

    M.W.:
    383.48

    Type:
    Small molecule

    AlogP:
    5.50

    Polar Surface Area:
    55.63

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  16. ALA548105

    Name:
    GSK1581428

    Mol. Formula:
    C21H26N4OS

    M.W.:
    382.53

    Type:
    Small molecule

    AlogP:
    4.32

    Polar Surface Area:
    83.80

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  17. ALA580762

    Name:
    GW440132

    Mol. Formula:
    C25H23N3O4

    M.W.:
    429.48

    Type:
    Small molecule

    AlogP:
    5.26

    Polar Surface Area:
    92.71

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  18. ALA582223

    Name:
    GW494702

    Mol. Formula:
    C26H20N4O2S

    M.W.:
    452.54

    Type:
    Small molecule

    AlogP:
    6.37

    Polar Surface Area:
    87.14

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  19. ALA582038

    Name:
    GW494601

    Mol. Formula:
    C20H15N3O

    M.W.:
    313.36

    Type:
    Small molecule

    AlogP:
    4.75

    Polar Surface Area:
    58.04

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  20. ALA545906

    Name:
    GSK2188764

    Mol. Formula:
    C17H16Cl2N6O

    M.W.:
    391.26

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    94.73

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
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