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  1. ALA4567380

    Name:
    N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-
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    Mol. Formula:
    C16H16N4O3

    M.W.:
    312.33

    Type:
    Unknown

    AlogP:
    2.49

    Polar Surface Area:
    93.18

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  2. ALA4530528

    Name:
    1-Benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-
    Show More

    Mol. Formula:
    C19H21N5O2

    M.W.:
    351.41

    Type:
    Unknown

    AlogP:
    2.98

    Polar Surface Area:
    67.40

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  3. ALA4526144

    Name:
    1-Benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-
    Show More

    Mol. Formula:
    C17H19N5O2

    M.W.:
    325.37

    Type:
    Unknown

    AlogP:
    2.86

    Polar Surface Area:
    84.98

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  4. ALA4514970

    Name:
    3-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-
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    Mol. Formula:
    C18H21N7O3

    M.W.:
    383.41

    Type:
    Unknown

    AlogP:
    1.55

    Polar Surface Area:
    102.29

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  5. ALA4579065

    Name:
    N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-
    Show More

    Mol. Formula:
    C16H17N5O3

    M.W.:
    327.34

    Type:
    Unknown

    AlogP:
    2.19

    Polar Surface Area:
    95.07

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  6. ALA4588973

    Name:
    N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-
    Show More

    Mol. Formula:
    C16H16N4O3

    M.W.:
    312.33

    Type:
    Unknown

    AlogP:
    2.49

    Polar Surface Area:
    93.18

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  7. ALA4461460

    Name:
    N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-
    Show More

    Mol. Formula:
    C15H16N4O3S

    M.W.:
    332.39

    Type:
    Unknown

    AlogP:
    2.34

    Polar Surface Area:
    90.02

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  8. ALA4471870

    Name:
    1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-
    Show More

    Mol. Formula:
    C19H17N5O4

    M.W.:
    379.38

    Type:
    Unknown

    AlogP:
    2.03

    Polar Surface Area:
    101.54

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  9. ALA4469393

    Name:
    N-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazo
    Show More

    Mol. Formula:
    C16H16N4O3

    M.W.:
    312.33

    Type:
    Unknown

    AlogP:
    2.49

    Polar Surface Area:
    93.18

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  10. ALA3986724

    Name:
    US9247759, 4-75

    Mol. Formula:
    C19H18N4O3

    M.W.:
    350.38

    Type:
    Small molecule

    AlogP:
    3.84

    Polar Surface Area:
    86.09

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  11. ALA3986643

    Name:
    US9247759, 9-6

    Mol. Formula:
    C19H22N6O2

    M.W.:
    366.43

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    79.43

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  12. ALA3986303

    Name:
    US9247759, 4-45

    Mol. Formula:
    C15H17N5O2

    M.W.:
    299.33

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    88.74

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  13. ALA3985403

    Name:
    US9247759, 12-21

    Mol. Formula:
    C20H24N6O4

    M.W.:
    412.45

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    110.50

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  14. ALA3985068

    Name:
    US9247759, 10-70

    Mol. Formula:
    C25H24N6O3

    M.W.:
    456.51

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    92.78

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  15. ALA3985065

    Name:
    US9247759, 4-51

    Mol. Formula:
    C15H16N4O3

    M.W.:
    300.32

    Type:
    Small molecule

    AlogP:
    2.69

    Polar Surface Area:
    86.09

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  16. ALA3984079

    Name:
    US9247759, 10-41

    Mol. Formula:
    C13H15N5O3

    M.W.:
    289.30

    Type:
    Small molecule

    AlogP:
    0.98

    Polar Surface Area:
    93.26

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  17. ALA3983912

    Name:
    US9247759, 10-72

    Mol. Formula:
    C20H22N6O5

    M.W.:
    426.43

    Type:
    Small molecule

    AlogP:
    1.92

    Polar Surface Area:
    115.82

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  18. ALA3983515

    Name:
    US9247759, 4-100

    Mol. Formula:
    C15H15FN4O3S

    M.W.:
    350.38

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    90.02

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  19. ALA3983490

    Name:
    US9247759, 4-41

    Mol. Formula:
    C19H22N4O3

    M.W.:
    354.41

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    82.18

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  20. ALA3983263

    Name:
    US9247759, 10-23

    Mol. Formula:
    C19H18N6O5

    M.W.:
    410.39

    Type:
    Small molecule

    AlogP:
    2.41

    Polar Surface Area:
    127.61

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
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