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  1. ALA4532985

    Name:
    N-(2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)nicoti
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    Mol. Formula:
    C16H13N5O

    M.W.:
    291.31

    Type:
    Unknown

    AlogP:
    1.57

    Polar Surface Area:
    69.95

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  2. ALA4555334

    Name:
    2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)et
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    Mol. Formula:
    C23H18FN7O

    M.W.:
    427.44

    Type:
    Unknown

    AlogP:
    3.56

    Polar Surface Area:
    143.60

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  3. ALA4570159

    Name:
    2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)et
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    Mol. Formula:
    C25H22FN7O

    M.W.:
    455.50

    Type:
    Unknown

    AlogP:
    4.16

    Polar Surface Area:
    120.82

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  4. ALA4516601

    Name:
    2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)et
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    Mol. Formula:
    C24H20FN7O

    M.W.:
    441.47

    Type:
    Unknown

    AlogP:
    3.82

    Polar Surface Area:
    129.61

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  5. ALA4577796

    Name:
    2-(2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-phe
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    Mol. Formula:
    C18H15N3O

    M.W.:
    289.34

    Type:
    Unknown

    AlogP:
    3.39

    Polar Surface Area:
    48.19

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  6. ALA4464055

    Name:
    2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)et
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    Mol. Formula:
    C25H22FN7O

    M.W.:
    455.50

    Type:
    Unknown

    AlogP:
    4.21

    Polar Surface Area:
    129.61

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  7. ALA4461539

    Name:
    2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)et
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    Mol. Formula:
    C26H24FN7O

    M.W.:
    469.52

    Type:
    Unknown

    AlogP:
    4.60

    Polar Surface Area:
    129.61

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  8. ALA4470291

    Name:
    2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)et
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    Mol. Formula:
    C23H19FN8O

    M.W.:
    442.46

    Type:
    Unknown

    AlogP:
    3.21

    Polar Surface Area:
    142.50

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  9. ALA3986383

    Name:
    4-(8-(1H-imidazol-5-yl)-2-methyl-3-(2-methyl-3-(tr
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    Mol. Formula:
    C23H23F3N6O

    M.W.:
    456.47

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    71.34

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  10. ALA4550603

    Name:
    N-(2-methoxy-5-(1-(4-methoxybenzyl)-3-methyl-2-oxo
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    Mol. Formula:
    C26H25N5O5S

    M.W.:
    519.58

    Type:
    Unknown

    AlogP:
    3.39

    Polar Surface Area:
    117.34

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  11. ALA3983697

    Name:
    US9499523, 7

    Mol. Formula:
    C18H16Cl2N10O

    M.W.:
    459.30

    Type:
    Small molecule

    AlogP:
    2.19

    Polar Surface Area:
    176.54

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  12. ALA3981609

    Name:
    US9499523, 13

    Mol. Formula:
    C18H15Cl3N10O

    M.W.:
    493.75

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    176.54

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  13. ALA3981093

    Name:
    US9499523, 21

    Mol. Formula:
    C20H14ClF3N10O

    M.W.:
    502.85

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    174.31

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  14. ALA3974237

    Name:
    6-(Isoquinolin-4-yl)-4-(4-cyanomethyl)phenylaminoq
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    Mol. Formula:
    C25H17N5

    M.W.:
    387.45

    Type:
    Small molecule

    AlogP:
    5.65

    Polar Surface Area:
    74.49

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  15. ALA3798108

    Name:
    8-((2H-benzo[b][1,4]oxazin-4(3H)-yl)methyl)-N,N-di
    Show More

    Mol. Formula:
    C25H27N3O5

    M.W.:
    449.51

    Type:
    Small molecule

    AlogP:
    2.73

    Polar Surface Area:
    75.46

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  16. ALA3799831

    Name:
    8-((8-fluoro-2H-benzo[b][1,4]oxazin-4(3H)-yl)methy
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    Mol. Formula:
    C25H26FN3O5

    M.W.:
    467.50

    Type:
    Small molecule

    AlogP:
    2.87

    Polar Surface Area:
    75.46

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  17. ALA3799187

    Name:
    8-((6-fluoro-2H-benzo[b][1,4]oxazin-4(3H)-yl)methy
    Show More

    Mol. Formula:
    C25H26FN3O5

    M.W.:
    467.50

    Type:
    Small molecule

    AlogP:
    2.87

    Polar Surface Area:
    75.46

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  18. ALA3798914

    Name:
    (R)-8-((8-fluoro-2H-benzo[b][1,4]oxazin-4(3H)-yl)m
    Show More

    Mol. Formula:
    C26H28FN3O5

    M.W.:
    481.52

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    75.46

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  19. ALA3799511

    Name:
    (R)-8-((6-fluoro-2H-benzo[b][1,4]oxazin-4(3H)-yl)m
    Show More

    Mol. Formula:
    C26H28FN3O5

    M.W.:
    481.52

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    75.46

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  20. ALA3797812

    Name:
    (R)-8-((6,8-difluoro-2H-benzo[b][1,4]oxazin-4(3H)-
    Show More

    Mol. Formula:
    C26H27F2N3O5

    M.W.:
    499.51

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    75.46

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
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