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  1. ALA4547295

    Name:
    6-ethyl-N-(2-fluoro-3-(trifluoromethyl)phenyl)-3'-
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    Mol. Formula:
    C29H22F4N4O

    M.W.:
    518.51

    Type:
    Unknown

    AlogP:
    7.34

    Polar Surface Area:
    59.29

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  2. ALA4546339

    Name:
    4-methyl-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-
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    Mol. Formula:
    C25H22F3N5O

    M.W.:
    465.48

    Type:
    Unknown

    AlogP:
    5.67

    Polar Surface Area:
    71.84

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  3. ALA4756210

    Name:
    N-(3-(4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)
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    Mol. Formula:
    C32H34N8O2

    M.W.:
    562.68

    Type:
    Unknown

    AlogP:
    5.09

    Polar Surface Area:
    125.29

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  4. ALA4541139

    Name:
    (R)-N-(3-Ethyl-5-(4-methyl-1H-imidazol-1-yl)phenyl
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    Mol. Formula:
    C27H28N6O

    M.W.:
    452.56

    Type:
    Unknown

    AlogP:
    4.39

    Polar Surface Area:
    75.94

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  5. ALA5201538

    Name:
    (-)-Applanatumine B

    Mol. Formula:
    C33H32O13

    M.W.:
    636.61

    Type:
    ---

    AlogP:
    3.40

    Polar Surface Area:
    214.19

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  6. ALA5094596

    Name:
    2-(2-(3-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro
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    Mol. Formula:
    C30H22F3N7O4

    M.W.:
    601.55

    Type:
    Unknown

    AlogP:
    5.64

    Polar Surface Area:
    160.93

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  7. ALA5088050

    Name:
    2-(4-amino-2-(4-fluorophenyl)-7-oxo-6,7-dihydro-2H
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    Mol. Formula:
    C28H18F4N6O3

    M.W.:
    562.48

    Type:
    Unknown

    AlogP:
    5.82

    Polar Surface Area:
    131.83

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  8. ALA5084624

    Name:
    2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro
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    Mol. Formula:
    C30H22F3N7O4

    M.W.:
    601.55

    Type:
    Unknown

    AlogP:
    5.64

    Polar Surface Area:
    160.93

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  9. ALA5083118

    Name:
    2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro
    Show More

    Mol. Formula:
    C27H27N7O4

    M.W.:
    513.56

    Type:
    Unknown

    AlogP:
    3.90

    Polar Surface Area:
    160.93

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  10. ALA5082740

    Name:
    2-(4-amino-7-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[
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    Mol. Formula:
    C28H19F3N6O3

    M.W.:
    544.49

    Type:
    Unknown

    AlogP:
    5.68

    Polar Surface Area:
    131.83

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  11. ALA5081927

    Name:
    2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro
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    Mol. Formula:
    C29H29N7O4

    M.W.:
    539.60

    Type:
    Unknown

    AlogP:
    4.43

    Polar Surface Area:
    160.93

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  12. ALA5076889

    Name:
    2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro
    Show More

    Mol. Formula:
    C30H22F3N7O4

    M.W.:
    601.55

    Type:
    Unknown

    AlogP:
    5.64

    Polar Surface Area:
    160.93

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  13. ALA5075627

    Name:
    2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro
    Show More

    Mol. Formula:
    C29H23N7O4

    M.W.:
    533.55

    Type:
    Unknown

    AlogP:
    4.62

    Polar Surface Area:
    160.93

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  14. ALA5072982

    Name:
    4-((4-ethylpiperazin-1-yl)methyl)-N-(4-methyl-3-(2
    Show More

    Mol. Formula:
    C30H31F3N4O3

    M.W.:
    552.60

    Type:
    Unknown

    AlogP:
    5.69

    Polar Surface Area:
    73.91

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  15. ALA5072528

    Name:
    2-(4-amino-7-oxo-2-p-tolyl-6,7-dihydro-2H-pyrazolo
    Show More

    Mol. Formula:
    C29H21F3N6O3

    M.W.:
    558.52

    Type:
    Unknown

    AlogP:
    5.99

    Polar Surface Area:
    131.83

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  16. ALA4754201

    Name:
    N-(3-(4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)
    Show More

    Mol. Formula:
    C31H31ClN8O2

    M.W.:
    583.10

    Type:
    Unknown

    AlogP:
    5.36

    Polar Surface Area:
    125.29

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  17. ALA4753570

    Name:
    N-(3-(4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)
    Show More

    Mol. Formula:
    C30H29N7O2

    M.W.:
    519.61

    Type:
    Unknown

    AlogP:
    5.55

    Polar Surface Area:
    122.05

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  18. ALA4794765

    Name:
    4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(
    Show More

    Cas Number:
    1257628-64-0

    Mol. Formula:
    C29H27F3N6O

    M.W.:
    532.57

    Type:
    Unknown

    AlogP:
    4.46

    Polar Surface Area:
    65.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  19. ALA4794626

    Name:
    N-(3-(4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)
    Show More

    Mol. Formula:
    C30H28BrN7O3

    M.W.:
    614.50

    Type:
    Unknown

    AlogP:
    5.55

    Polar Surface Area:
    131.28

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  20. ALA4794437

    Name:
    N-(3-(4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)
    Show More

    Mol. Formula:
    C31H29F3N8O2

    M.W.:
    602.62

    Type:
    Unknown

    AlogP:
    5.41

    Polar Surface Area:
    125.29

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
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