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  1. ALA5316187

    Name:
    kipukasin G

    Mol. Formula:
    C19H22N2O9

    M.W.:
    422.39

    Type:
    ---

    AlogP:
    -0.95

    Polar Surface Area:
    149.45

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  2. ALA5316186

    Name:
    kipukasin F

    Mol. Formula:
    C21H24N2O10

    M.W.:
    464.43

    Type:
    ---

    AlogP:
    -0.38

    Polar Surface Area:
    155.52

    HBA:
    12

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  3. ALA5316185

    Name:
    kipukasin E

    Mol. Formula:
    C19H22N2O9

    M.W.:
    422.39

    Type:
    ---

    AlogP:
    -0.66

    Polar Surface Area:
    149.31

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  4. ALA5316184

    Name:
    kipukasin D

    Mol. Formula:
    C19H22N2O9

    M.W.:
    422.39

    Type:
    ---

    AlogP:
    -0.66

    Polar Surface Area:
    149.31

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  5. ALA5316183

    Name:
    kipukasin C

    Mol. Formula:
    C20H22N2O10

    M.W.:
    450.40

    Type:
    ---

    AlogP:
    -0.39

    Polar Surface Area:
    166.38

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  6. ALA5316182

    Name:
    kipukasin B

    Mol. Formula:
    C20H22N2O10

    M.W.:
    450.40

    Type:
    ---

    AlogP:
    -0.39

    Polar Surface Area:
    166.38

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  7. ALA5316181

    Name:
    kipukasin A

    Mol. Formula:
    C21H24N2O10

    M.W.:
    464.43

    Type:
    ---

    AlogP:
    -0.09

    Polar Surface Area:
    155.38

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  8. ALA2296872

    Name:
    4-(4-(1H-imidazol-1-yl)phenyl)-6-(4-iodophenyl)-py
    Show More

    Mol. Formula:
    C19H14IN5

    M.W.:
    439.26

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    69.62

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA2296871

    Name:
    4-(4-(1H-imidazol-1-yl)phenyl)-6-(2,5-dichlorophen
    Show More

    Mol. Formula:
    C19H13Cl2N5

    M.W.:
    382.25

    Type:
    Small molecule

    AlogP:
    4.89

    Polar Surface Area:
    69.62

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  10. ALA2296870

    Name:
    4-(4-(1H-imidazol-1-yl)phenyl)-6-(2,3,4-trichlorop
    Show More

    Mol. Formula:
    C19H12Cl3N5

    M.W.:
    416.70

    Type:
    Small molecule

    AlogP:
    5.54

    Polar Surface Area:
    69.62

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  11. ALA2296869

    Name:
    4-(4-(1H-imidazol-1-yl)phenyl)-6-(4-fluorophenyl)-
    Show More

    Mol. Formula:
    C19H14FN5

    M.W.:
    331.35

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    69.62

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  12. ALA2296868

    Name:
    4-(4-(1H-imidazol-1-yl)phenyl)-6-(2,4-dichlorophen
    Show More

    Mol. Formula:
    C19H13Cl2N5

    M.W.:
    382.25

    Type:
    Small molecule

    AlogP:
    4.89

    Polar Surface Area:
    69.62

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  13. ALA2296867

    Name:
    4-(4-(1H-imidazol-1-yl)phenyl)-6-(3,4-dimethoxyphe
    Show More

    Mol. Formula:
    C20H17N5O3

    M.W.:
    375.39

    Type:
    Small molecule

    AlogP:
    3.44

    Polar Surface Area:
    108.31

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  14. ALA2296866

    Name:
    4-(4-(1H-imidazol-1-yl)phenyl)-6-(3-methoxyphenyl)
    Show More

    Mol. Formula:
    C20H17N5O

    M.W.:
    343.39

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    78.85

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  15. ALA2282626

    Name:
    1-(2-((6,8-Difluoroquinolin-4-yl)amino)ethyl)-3-(5
    Show More

    Mol. Formula:
    C19H17F3N4O

    M.W.:
    374.37

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    66.05

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  16. ALA2282625

    Name:
    1-(3-Chloro-2-fluorophenyl)-3-(2-((6,8-difluoroqui
    Show More

    Mol. Formula:
    C18H14ClF3N4O

    M.W.:
    394.78

    Type:
    Small molecule

    AlogP:
    4.54

    Polar Surface Area:
    66.05

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  17. ALA2282624

    Name:
    1-(2-((6,8-Difluoroquinolin-4-yl)amino)ethyl)-3-(2
    Show More

    Mol. Formula:
    C18H15F3N4O

    M.W.:
    360.34

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    66.05

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  18. ALA2282622

    Name:
    1-(2-((6,8-Difluoroquinolin-4-yl)amino)ethyl)-3-(2
    Show More

    Mol. Formula:
    C19H15F5N4O

    M.W.:
    410.35

    Type:
    Small molecule

    AlogP:
    4.77

    Polar Surface Area:
    66.05

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  19. ALA2282621

    Name:
    1-(2-((6,8-Difluoroquinolin-4-yl)amino)ethyl)-3-(4
    Show More

    Mol. Formula:
    C19H15F5N4O2

    M.W.:
    426.35

    Type:
    Small molecule

    AlogP:
    4.65

    Polar Surface Area:
    75.28

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  20. ALA2282620

    Name:
    1-(2-((6,8-Difluoroquinolin-4-yl)amino)ethyl)-3-(2
    Show More

    Mol. Formula:
    C19H15F5N4O2

    M.W.:
    426.35

    Type:
    Small molecule

    AlogP:
    4.65

    Polar Surface Area:
    75.28

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
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