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  1. ALA4087275

    Name:
    (2S)-2-((((2R,3S,4R,5R)-5-(6-(furan-2-ylmethylamino)-9H-purin-9-yl)-3,4-dihShow More

    Mol. Formula:
    C18H23N6O9P

    M.W.:
    498.39

    Type:
    Small molecule

    AlogP:
    -0.17

    Polar Surface Area:
    214.32

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  2. ALA3986767

    Name:
    US9150526, 199

    Mol. Formula:
    C18H16ClN3O4

    M.W.:
    373.80

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    98.34

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  3. ALA3986611

    Name:
    US9150526, 117

    Mol. Formula:
    C21H20FNO4

    M.W.:
    369.39

    Type:
    Small molecule

    AlogP:
    4.79

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  4. ALA3986087

    Name:
    US9150526, 186

    Mol. Formula:
    C20H21N3O5

    M.W.:
    383.40

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    107.57

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  5. ALA3985962

    Name:
    US9150526, 153

    Mol. Formula:
    C22H23ClN2O4

    M.W.:
    414.89

    Type:
    Small molecule

    AlogP:
    5.44

    Polar Surface Area:
    85.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  6. ALA3985787

    Name:
    US9150526, 121

    Mol. Formula:
    C20H18FNO4

    M.W.:
    355.37

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  7. ALA3985732

    Name:
    US9199947, 75

    Mol. Formula:
    C22H23NO3S

    M.W.:
    381.50

    Type:
    Small molecule

    AlogP:
    5.35

    Polar Surface Area:
    59.42

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  8. ALA3985694

    Name:
    US9150526, 106

    Mol. Formula:
    C19H15ClFNO4

    M.W.:
    375.78

    Type:
    Small molecule

    AlogP:
    4.75

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  9. ALA3985600

    Name:
    US9150526, 217

    Mol. Formula:
    C20H17F3N2O4

    M.W.:
    406.36

    Type:
    Small molecule

    AlogP:
    4.68

    Polar Surface Area:
    85.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  10. ALA3985437

    Name:
    US9150526, 135

    Mol. Formula:
    C20H20N2O5

    M.W.:
    368.39

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    94.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  11. ALA3985400

    Name:
    US9199947, 35

    Mol. Formula:
    C25H21NO3S

    M.W.:
    415.51

    Type:
    Small molecule

    AlogP:
    6.00

    Polar Surface Area:
    59.42

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  12. ALA3985292

    Name:
    US9199947, 8

    Mol. Formula:
    C18H14ClNO2S

    M.W.:
    343.84

    Type:
    Small molecule

    AlogP:
    5.07

    Polar Surface Area:
    50.19

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  13. ALA3985175

    Name:
    US9150526, 157

    Mol. Formula:
    C23H23ClN2O5

    M.W.:
    442.90

    Type:
    Small molecule

    AlogP:
    5.03

    Polar Surface Area:
    94.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  14. ALA3984445

    Name:
    US9150526, 89

    Mol. Formula:
    C21H19ClN2O4S

    M.W.:
    430.91

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    102.51

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  15. ALA3984402

    Name:
    US9150526, 142

    Mol. Formula:
    C19H17ClN2O4

    M.W.:
    372.81

    Type:
    Small molecule

    AlogP:
    4.31

    Polar Surface Area:
    85.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  16. ALA3983512

    Name:
    US9150526, 13

    Mol. Formula:
    C23H25NO4

    M.W.:
    379.46

    Type:
    Small molecule

    AlogP:
    5.25

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  17. ALA3983446

    Name:
    US9150526, 200

    Mol. Formula:
    C20H16F4N2O4

    M.W.:
    424.35

    Type:
    Small molecule

    AlogP:
    4.82

    Polar Surface Area:
    85.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  18. ALA3983411

    Name:
    US9199947, 109

    Mol. Formula:
    C19H14ClF2NO2S

    M.W.:
    393.84

    Type:
    Small molecule

    AlogP:
    5.66

    Polar Surface Area:
    50.19

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  19. ALA3983365

    Name:
    US9199947, 54

    Mol. Formula:
    C20H18FNO3S

    M.W.:
    371.43

    Type:
    Small molecule

    AlogP:
    4.87

    Polar Surface Area:
    59.42

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  20. ALA3982676

    Name:
    US9199947, 94

    Mol. Formula:
    C21H18N2O3S

    M.W.:
    378.45

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    83.21

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
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