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  1. ALA4878160

    Name:
    (7-(2-fluoro-4-(1H-pyrazol-1-yl)phenylamino)-1,6-n
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    Mol. Formula:
    C24H23FN6O

    M.W.:
    430.49

    Type:
    Unknown

    AlogP:
    4.22

    Polar Surface Area:
    75.94

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  2. ALA4876976

    Name:
    (R)-1-(1-methylpiperidin-4-yl)-1-(7-((4-(methylsul
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    Mol. Formula:
    C23H28N4O3S

    M.W.:
    440.57

    Type:
    Unknown

    AlogP:
    3.33

    Polar Surface Area:
    95.42

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  3. ALA4875691

    Name:
    [4-(1,1-Dioxo-1lambda*6*-isothiazolidin-2-yl)-phen
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    Mol. Formula:
    C23H27N5O4S2

    M.W.:
    501.63

    Type:
    Unknown

    AlogP:
    2.78

    Polar Surface Area:
    112.57

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  4. ALA4874874

    Name:
    (R)-3-((2-(1-hydroxy-1-(1-methylpiperidin-4-yl)eth
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    Mol. Formula:
    C23H27N5O2

    M.W.:
    405.50

    Type:
    Unknown

    AlogP:
    3.02

    Polar Surface Area:
    104.37

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  5. ALA4869775

    Name:
    ethyl 3-(2-(piperidin-4-ylthio)-1,6-naphthyridin-7
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    Mol. Formula:
    C22H24N4O2S

    M.W.:
    408.53

    Type:
    Unknown

    AlogP:
    4.39

    Polar Surface Area:
    76.14

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  6. ALA5286716

    Name:
    (S)-(2,7-dimethoxy-9-((pyrrolidin-3-ylmethyl)thio)
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    Mol. Formula:
    C21H24N2O3S

    M.W.:
    384.50

    Type:
    ---

    AlogP:
    3.60

    Polar Surface Area:
    63.61

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  7. ALA5286520

    Name:
    4-(3-cyano-6-ethoxyquinolin-2-yl)-N-(2-fluoropheny
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    Mol. Formula:
    C24H24FN5OS

    M.W.:
    449.56

    Type:
    ---

    AlogP:
    4.55

    Polar Surface Area:
    64.42

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  8. ALA5285332

    Name:
    N-(6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-3-yl)-1
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    Mol. Formula:
    C20H23N5O3S

    M.W.:
    413.50

    Type:
    ---

    AlogP:
    2.25

    Polar Surface Area:
    97.19

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  9. ALA5284529

    Name:
    N-(1H-indazol-5-yl)-2-(phenylamino)thiazole-4-carb
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    Mol. Formula:
    C17H13N5OS

    M.W.:
    335.39

    Type:
    ---

    AlogP:
    4.02

    Polar Surface Area:
    82.70

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  10. ALA5283849

    Name:
    Leucettinib LCTB-10

    Mol. Formula:
    C18H20N4OS

    M.W.:
    340.45

    Type:
    ---

    AlogP:
    3.44

    Polar Surface Area:
    66.38

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  11. ALA5280761

    Name:
    6-((2,6-dichlorobenzyl)sulfonyl)-2-(4-hydroxy-3-ni
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    Mol. Formula:
    C22H14Cl2N2O6S2

    M.W.:
    537.40

    Type:
    ---

    AlogP:
    5.67

    Polar Surface Area:
    126.61

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  12. ALA5279705

    Name:
    Aristolactam BIII

    Mol. Formula:
    C18H17NO4

    M.W.:
    311.34

    Type:
    ---

    AlogP:
    2.31

    Polar Surface Area:
    56.79

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
  13. ALA5289681

    Name:
    1-isobutyl-N-(6-(1-methyl-1H-pyrazol-4-yl)isoquino
    Show More

    Mol. Formula:
    C23H29N5O

    M.W.:
    391.52

    Type:
    ---

    AlogP:
    3.94

    Polar Surface Area:
    63.05

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  14. ALA5288595

    Name:
    N-(5-(5-methoxybenzo[d]thiazol-2-yl)pyridin-3-yl)a
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    Mol. Formula:
    C15H13N3O2S

    M.W.:
    299.36

    Type:
    ---

    AlogP:
    3.33

    Polar Surface Area:
    64.11

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  15. ALA5288391

    Name:
    2-methyl-1-(4-methylpiperazin-1-yl)-2-(4-(2-(6-(py
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    Mol. Formula:
    C29H31N5O2

    M.W.:
    481.60

    Type:
    ---

    AlogP:
    3.87

    Polar Surface Area:
    70.81

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  16. ALA4791275

    Name:
    N-(3-Morpholinopropyl)-10-nitropyrido[3,4-g]quinaz
    Show More

    Mol. Formula:
    C18H20N6O3

    M.W.:
    368.40

    Type:
    Unknown

    AlogP:
    2.22

    Polar Surface Area:
    106.31

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  17. ALA4861166

    Name:
    2-((1-methylpiperidin-4-yl)(7-(3-sulfamoylphenylam
    Show More

    Mol. Formula:
    C22H26N6O4S

    M.W.:
    470.56

    Type:
    Unknown

    AlogP:
    2.01

    Polar Surface Area:
    141.75

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  18. ALA3735368

    Name:
    (3-(6-(4-methylpiperazin-1-yl)-3-(pyridin-4-yl)imi
    Show More

    Mol. Formula:
    C27H29N7O2

    M.W.:
    483.58

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    79.10

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  19. ALA3734840

    Name:
    (4-(6-(4-methylpiperazin-1-yl)-3-(pyridin-4-yl)imi
    Show More

    Mol. Formula:
    C27H29N7O2

    M.W.:
    483.58

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    79.10

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA3736271

    Name:
    6-(4-methylpiperazin-1-yl)-2-(5-phenylthien-2-yl)-
    Show More

    Mol. Formula:
    C26H24N6S

    M.W.:
    452.59

    Type:
    Small molecule

    AlogP:
    4.94

    Polar Surface Area:
    49.56

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
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