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  1. ALA4475381

    Name:
    (1R,2S)-5'-fluoro-2-(3-(6-(4-methylpiperazin-1-yl)
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    Mol. Formula:
    C27H25FN6O

    M.W.:
    468.54

    Type:
    Unknown

    AlogP:
    3.89

    Polar Surface Area:
    77.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  2. ALA4553351

    Name:
    (1R,2S)-5'-methoxy-2-(3-(4-(piperazin-1-yl)phenyl)
    Show More

    Mol. Formula:
    C28H27N5O2

    M.W.:
    465.56

    Type:
    Unknown

    AlogP:
    4.03

    Polar Surface Area:
    82.28

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  3. ALA4516793

    Name:
    (rac)-(1R,2S)-5'-methoxy-2-(3-(6-(4-methylpiperazi
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    Mol. Formula:
    C28H28N6O2

    M.W.:
    480.57

    Type:
    Unknown

    AlogP:
    3.76

    Polar Surface Area:
    86.38

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  4. ALA4546145

    Name:
    (rac)-(1R,2S)-2-(3-(6-(4-methylpiperazin-1-yl)pyri
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    Mol. Formula:
    C27H26N6O

    M.W.:
    450.55

    Type:
    Unknown

    AlogP:
    3.75

    Polar Surface Area:
    77.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  5. ALA4579738

    Name:
    (E/Z)-3-((3-(pyridin-3-yl)-1H-indazol-6-yl)methyle
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    Mol. Formula:
    C21H14N4O

    M.W.:
    338.37

    Type:
    Unknown

    AlogP:
    4.12

    Polar Surface Area:
    70.67

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  6. ALA4590185

    Name:
    (rac)-(1R,2S)-5'-methoxy-2-(3-(6-morpholinopyridin
    Show More

    Mol. Formula:
    C27H25N5O3

    M.W.:
    467.53

    Type:
    Unknown

    AlogP:
    3.85

    Polar Surface Area:
    92.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  7. ALA4461353

    Name:
    (rac)-(1R,2S)-2-(3-(6-(4-hydroxypiperidin-1-yl)pyr
    Show More

    Mol. Formula:
    C28H27N5O3

    M.W.:
    481.56

    Type:
    Unknown

    AlogP:
    3.97

    Polar Surface Area:
    103.37

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  8. ALA4467348

    Name:
    (1S,2R)-5'-methoxy-2-(3-(6-(4-methylpiperazin-1-yl
    Show More

    Mol. Formula:
    C28H28N6O2

    M.W.:
    480.57

    Type:
    Unknown

    AlogP:
    3.76

    Polar Surface Area:
    86.38

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  9. ALA4466113

    Name:
    (E)-3-((3-(thiazol-2-yl)-1H-indazol-6-yl)methylene
    Show More

    Mol. Formula:
    C19H12N4OS

    M.W.:
    344.40

    Type:
    Unknown

    AlogP:
    4.18

    Polar Surface Area:
    70.67

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  10. ALA4470693

    Name:
    (1R,2S)-2-(3-(4-(4-(2-hydroxyethyl)piperazin-1-yl)
    Show More

    Mol. Formula:
    C30H31N5O3

    M.W.:
    509.61

    Type:
    Unknown

    AlogP:
    3.73

    Polar Surface Area:
    93.72

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  11. ALA4562664

    Name:
    (E/Z)-3-((3-(pyridin-4-yl)-1H-indazol-6-yl)methyle
    Show More

    Mol. Formula:
    C21H14N4O

    M.W.:
    338.37

    Type:
    Unknown

    AlogP:
    4.12

    Polar Surface Area:
    70.67

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  12. ALA5209160

    Name:
    N6-(2,4-difluorobenzyl)-N4-(5-methyl-1H-pyrazol-3-
    Show More

    Mol. Formula:
    C16H14F2N8

    M.W.:
    356.34

    Type:
    ---

    AlogP:
    3.02

    Polar Surface Area:
    107.20

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  13. ALA5208535

    Name:
    N6-(2-bromobenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-1
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    Mol. Formula:
    C16H15BrN8

    M.W.:
    399.26

    Type:
    ---

    AlogP:
    3.50

    Polar Surface Area:
    107.20

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  14. ALA5207473

    Name:
    1-(6-((4-chlorobenzyl)amino)-4-((5-methyl-1H-pyraz
    Show More

    Mol. Formula:
    C20H23ClN8O

    M.W.:
    426.91

    Type:
    ---

    AlogP:
    3.64

    Polar Surface Area:
    116.57

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  15. ALA5205336

    Name:
    N-(5-methyl-1H-pyrazol-3-yl)-6-(piperazin-1-yl)-1H
    Show More

    Mol. Formula:
    C13H17N9

    M.W.:
    299.34

    Type:
    ---

    AlogP:
    0.54

    Polar Surface Area:
    110.44

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  16. ALA5201909

    Name:
    N6-(4-chlorobenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-
    Show More

    Mol. Formula:
    C21H23ClN8O

    M.W.:
    438.92

    Type:
    ---

    AlogP:
    4.22

    Polar Surface Area:
    105.57

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  17. ALA5200865

    Name:
    N6-(4-fluorobenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-
    Show More

    Mol. Formula:
    C16H15FN8

    M.W.:
    338.35

    Type:
    ---

    AlogP:
    2.88

    Polar Surface Area:
    107.20

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  18. ALA5200812

    Name:
    N6-(2,4-difluorobenzyl)-N4-(5-methylthiazol-2-yl)-
    Show More

    Mol. Formula:
    C21H21F2N7OS

    M.W.:
    457.51

    Type:
    ---

    AlogP:
    4.58

    Polar Surface Area:
    89.78

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  19. ALA5200125

    Name:
    N6-(4-chlorobenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-
    Show More

    Mol. Formula:
    C21H24ClN9

    M.W.:
    437.94

    Type:
    ---

    AlogP:
    3.79

    Polar Surface Area:
    108.37

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  20. ALA5199896

    Name:
    N6-(3-fluorobenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-
    Show More

    Mol. Formula:
    C16H15FN8

    M.W.:
    338.35

    Type:
    ---

    AlogP:
    2.88

    Polar Surface Area:
    107.20

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
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