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  1. ALA4514229

    Name:
    1-(4-(1H-Pyrazolo[3,4-d]pyrimidin-4-yloxy)-2-fluor
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    Mol. Formula:
    C19H18FN7O3

    M.W.:
    411.40

    Type:
    Unknown

    AlogP:
    4.21

    Polar Surface Area:
    130.85

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  2. ALA4513662

    Name:
    3-(4-Bromothiophen-2-yl)-N-(4-(4-methylpiperazin-1
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    Mol. Formula:
    C18H20BrN5S

    M.W.:
    418.36

    Type:
    Unknown

    AlogP:
    4.40

    Polar Surface Area:
    47.19

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  3. ALA4483002

    Name:
    3-(4-(1H-Pyrrolo[2,3-b]pyridin-5-yl)phenyl)-N-(2-(
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    Mol. Formula:
    C24H23ClN4O3S

    M.W.:
    482.99

    Type:
    Unknown

    AlogP:
    3.91

    Polar Surface Area:
    103.95

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  4. ALA4476842

    Name:
    N'-(6-chloro-2-{(E)-2-[4-(propan-2-yl)phenyl]ethen
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    Mol. Formula:
    C25H31ClN4

    M.W.:
    423.00

    Type:
    Unknown

    AlogP:
    6.33

    Polar Surface Area:
    41.05

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  5. ALA4476644

    Name:
    5-(5-((3-(4-Methylpiperazin-1-yl)phenyl)amino)-1,3
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    Mol. Formula:
    C18H18N6OS

    M.W.:
    366.45

    Type:
    Unknown

    AlogP:
    3.17

    Polar Surface Area:
    81.22

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  6. ALA4476224

    Name:
    4-((5-(4-Cyanothiophen-2-yl)-1,3,4-oxadiazol-2-yl)
    Show More

    Mol. Formula:
    C20H20N6O2S

    M.W.:
    408.49

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    107.08

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  7. ALA4475895

    Name:
    1-(4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-3-fluor
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    Mol. Formula:
    C17H12F4N8O2

    M.W.:
    436.33

    Type:
    Unknown

    AlogP:
    3.68

    Polar Surface Area:
    122.64

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  8. ALA4475689

    Name:
    N-(4-(4-Methylpiperazin-1-yl)phenyl)-3-(thiophen-2
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    Mol. Formula:
    C18H21N5S

    M.W.:
    339.47

    Type:
    Unknown

    AlogP:
    3.63

    Polar Surface Area:
    47.19

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  9. ALA4475638

    Name:
    6-chloro-2-{(E)-2-[4-(methylsulfonyl)phenyl]etheny
    Show More

    Mol. Formula:
    C17H13ClN2O3S

    M.W.:
    360.82

    Type:
    Unknown

    AlogP:
    3.15

    Polar Surface Area:
    79.89

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  10. ALA4475159

    Name:
    1-(4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-2-methy
    Show More

    Mol. Formula:
    C20H21N7O3

    M.W.:
    407.43

    Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    130.85

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  11. ALA4475132

    Name:
    N'-{6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quin
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    Mol. Formula:
    C21H22F2N4

    M.W.:
    368.43

    Type:
    Unknown

    AlogP:
    4.44

    Polar Surface Area:
    41.05

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  12. ALA4474529

    Name:
    1-(4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-3-fluor
    Show More

    Mol. Formula:
    C20H21FN8O2

    M.W.:
    424.44

    Type:
    Unknown

    AlogP:
    3.96

    Polar Surface Area:
    122.64

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  13. ALA4474389

    Name:
    N'-{6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]
    Show More

    Mol. Formula:
    C23H25ClF2N4

    M.W.:
    430.93

    Type:
    Unknown

    AlogP:
    5.88

    Polar Surface Area:
    41.05

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  14. ALA4474253

    Name:
    N,N-diethyl-N'-{2-[(E)-2-(3,4-difluorophenyl)ethen
    Show More

    Mol. Formula:
    C23H25F3N4

    M.W.:
    414.48

    Type:
    Unknown

    AlogP:
    5.36

    Polar Surface Area:
    41.05

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  15. ALA4539094

    Name:
    N,N-diethyl-N'-{2-[(E)-2-(4-(propan-2-yl)phenyl)et
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    Mol. Formula:
    C26H34N4

    M.W.:
    402.59

    Type:
    Unknown

    AlogP:
    6.07

    Polar Surface Area:
    41.05

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  16. ALA4537870

    Name:
    N-(2-((4-(Pyridin-3-yl)phenethyl)amino)ethyl)isoqu
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    Mol. Formula:
    C24H24N4O2S

    M.W.:
    432.55

    Type:
    Unknown

    AlogP:
    3.41

    Polar Surface Area:
    83.98

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  17. ALA4537754

    Name:
    3,6-dichloro-N'-(3,4,5-trimethoxybenzoyl)benzo[b]t
    Show More

    Mol. Formula:
    C19H16Cl2N2O5S

    M.W.:
    455.32

    Type:
    Unknown

    AlogP:
    4.31

    Polar Surface Area:
    85.89

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  18. ALA4537528

    Name:
    N'-{6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quin
    Show More

    Mol. Formula:
    C21H22ClFN4

    M.W.:
    384.89

    Type:
    Unknown

    AlogP:
    4.96

    Polar Surface Area:
    41.05

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  19. ALA4523043

    Name:
    N'-{2-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[g]quin
    Show More

    Mol. Formula:
    C26H28N4O

    M.W.:
    412.54

    Type:
    Unknown

    AlogP:
    5.33

    Polar Surface Area:
    50.28

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  20. ALA4523041

    Name:
    1-(4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl)-
    Show More

    Mol. Formula:
    C25H24N8O2

    M.W.:
    468.52

    Type:
    Unknown

    AlogP:
    5.27

    Polar Surface Area:
    122.64

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
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