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  1. ALA5181260

    Name:
    1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(6-quShow More

    Mol. Formula:
    C29H28F3N5O2

    M.W.:
    535.57

    Type:
    ---

    AlogP:
    6.44

    Polar Surface Area:
    69.73

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  2. ALA4244382

    Name:
    3-(4-morpholinophenyl)-6-(quinolin-4-yl)quinazolin-4(3H)-one

    Mol. Formula:
    C27H22N4O2

    M.W.:
    434.50

    Type:
    Small molecule

    AlogP:
    4.44

    Polar Surface Area:
    60.25

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  3. ALA3981517

    Name:
    US9296747, Example 16

    Mol. Formula:
    C21H21N5O3

    M.W.:
    391.43

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    89.47

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  4. ALA3952783

    Name:
    US9296747, Example 17

    Mol. Formula:
    C21H21N5O3

    M.W.:
    391.43

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    89.47

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  5. ALA3892475

    Name:
    US9296747, Example 18

    Mol. Formula:
    C18H22N4O5

    M.W.:
    374.40

    Type:
    Small molecule

    AlogP:
    2.37

    Polar Surface Area:
    95.04

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  6. ALA3690083

    Name:
    US8703771, 15

    Mol. Formula:
    C31H33N7O

    M.W.:
    519.65

    Type:
    Small molecule

    AlogP:
    5.08

    Polar Surface Area:
    86.28

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  7. ALA3690075

    Name:
    US8703771, 4

    Mol. Formula:
    C32H35N7O

    M.W.:
    533.68

    Type:
    Small molecule

    AlogP:
    5.47

    Polar Surface Area:
    86.28

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  8. ALA3690074

    Name:
    US8703771, 3

    Mol. Formula:
    C30H31N7O

    M.W.:
    505.63

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    95.07

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  9. ALA3651298

    Name:
    US8481536, 588

    Mol. Formula:
    C26H28N6O2S

    M.W.:
    488.62

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    91.32

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  10. ALA3651249

    Name:
    US8481536, 496::US8481536, 610

    Mol. Formula:
    C23H21ClN6O2

    M.W.:
    448.91

    Type:
    Small molecule

    AlogP:
    4.33

    Polar Surface Area:
    96.29

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  11. ALA3651236

    Name:
    US8481536, 479::US8481536, 607

    Mol. Formula:
    C22H20ClN5O

    M.W.:
    405.89

    Type:
    Small molecule

    AlogP:
    5.17

    Polar Surface Area:
    74.17

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  12. ALA3651227

    Name:
    US8481536, 470::US8481536, 605

    Mol. Formula:
    C27H30N6O3S

    M.W.:
    518.64

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    109.34

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA3651212

    Name:
    US8481536, 452::US8481536, 598

    Mol. Formula:
    C27H28FN5O

    M.W.:
    457.55

    Type:
    Small molecule

    AlogP:
    5.67

    Polar Surface Area:
    63.17

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  14. ALA3644450

    Name:
    US8853207, Example-82

    Mol. Formula:
    C26H25N5O2S

    M.W.:
    471.59

    Type:
    Small molecule

    AlogP:
    4.81

    Polar Surface Area:
    83.14

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  15. ALA3644449

    Name:
    US8853207, Example-78

    Mol. Formula:
    C20H16N4OS

    M.W.:
    360.44

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    76.82

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  16. ALA3644448

    Name:
    US8853207, Example-70

    Mol. Formula:
    C20H15N3OS

    M.W.:
    345.43

    Type:
    Small molecule

    AlogP:
    4.78

    Polar Surface Area:
    50.80

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  17. ALA3644447

    Name:
    US8853207, Example-69

    Mol. Formula:
    C22H18N2O2S

    M.W.:
    374.46

    Type:
    Small molecule

    AlogP:
    5.39

    Polar Surface Area:
    47.14

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  18. ALA3644446

    Name:
    US8853207, Example-10

    Mol. Formula:
    C21H16N2OS

    M.W.:
    344.44

    Type:
    Small molecule

    AlogP:
    5.01

    Polar Surface Area:
    48.91

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  19. ALA3644445

    Name:
    US8853207, Example-2

    Mol. Formula:
    C14H11N3S

    M.W.:
    253.33

    Type:
    Small molecule

    AlogP:
    3.29

    Polar Surface Area:
    54.70

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  20. ALA3621300

    Name:
    (Z)-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-N-(3-(methylthio)propyl)-2-oShow More

    Mol. Formula:
    C20H23N3O2S

    M.W.:
    369.49

    Type:
    Small molecule

    AlogP:
    3.61

    Polar Surface Area:
    73.99

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
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