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  1. ALA5278570

    Name:
    3-(5-carboxythiophen-2-yl)quinoline-5,8-dicarboxyl
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    Mol. Formula:
    C16H9NO6S

    M.W.:
    343.32

    Type:
    ---

    AlogP:
    3.06

    Polar Surface Area:
    124.79

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  2. ALA5278548

    Name:
    3-(3,6-dimethoxypyridazin-4-yl)quinoline-5,8-dicar
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    Mol. Formula:
    C17H13N3O6

    M.W.:
    355.31

    Type:
    ---

    AlogP:
    2.11

    Polar Surface Area:
    131.73

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  3. ALA5290257

    Name:
    3-(2,4-dimethoxypyrimidin-5-yl)quinoline-5,8-dicar
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    Mol. Formula:
    C17H13N3O6

    M.W.:
    355.31

    Type:
    ---

    AlogP:
    2.11

    Polar Surface Area:
    131.73

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  4. ALA5277662

    Name:
    3-((1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino)i
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    Mol. Formula:
    C14H12N4O2

    M.W.:
    268.28

    Type:
    ---

    AlogP:
    2.41

    Polar Surface Area:
    80.04

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  5. ALA5274500

    Name:
    3-(4-fluoro-3-methoxyphenyl)quinoline-5,8-dicarbox
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    Mol. Formula:
    C18H12FNO5

    M.W.:
    341.29

    Type:
    ---

    AlogP:
    3.45

    Polar Surface Area:
    96.72

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  6. ALA5269222

    Name:
    3-(4-sulfamoylphenyl)quinoline-5,8-dicarboxylic ac
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    Mol. Formula:
    C17H12N2O6S

    M.W.:
    372.36

    Type:
    ---

    AlogP:
    1.95

    Polar Surface Area:
    147.65

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  7. ALA5266075

    Name:
    3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarbox
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    Mol. Formula:
    C18H12FNO5

    M.W.:
    341.29

    Type:
    ---

    AlogP:
    3.45

    Polar Surface Area:
    96.72

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  8. ALA5220431

    Name:
    6-(((4-Aminophenyl)amino)-3-hydroxypicolinoyl)glyc
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    Mol. Formula:
    C14H14N4O4

    M.W.:
    302.29

    Type:
    ---

    AlogP:
    0.93

    Polar Surface Area:
    137.57

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  9. ALA5220246

    Name:
    6-(((4-(Dimethylcarbamoyl)phenyl)amino)-3-hydroxyp
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    Mol. Formula:
    C17H18N4O5

    M.W.:
    358.35

    Type:
    ---

    AlogP:
    1.05

    Polar Surface Area:
    131.86

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  10. ALA5220148

    Name:
    6-(((5-Aminopyridin-2-yl)amino)-3-hydroxypicolinoy
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    Mol. Formula:
    C13H13N5O4

    M.W.:
    303.28

    Type:
    ---

    AlogP:
    0.32

    Polar Surface Area:
    150.46

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  11. ALA5220094

    Name:
    3-Hydroxy-6-(((5-nitropyridin-2-yl)amino)picolinoy
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    Mol. Formula:
    C13H11N5O6

    M.W.:
    333.26

    Type:
    ---

    AlogP:
    0.65

    Polar Surface Area:
    167.58

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  12. ALA5219989

    Name:
    N-((3-Hydroxy-6-(quinolin-5-yl)pyridin-2-yl)carbon
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    Mol. Formula:
    C17H13N3O4

    M.W.:
    323.31

    Type:
    ---

    AlogP:
    1.82

    Polar Surface Area:
    112.41

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  13. ALA5219846

    Name:
    3-Hydroxy-6-(((4-nitrophenyl)amino)picolinoyl)glyc
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    Mol. Formula:
    C14H12N4O6

    M.W.:
    332.27

    Type:
    ---

    AlogP:
    1.25

    Polar Surface Area:
    154.69

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  14. ALA5219491

    Name:
    N-((6-(Biphenyl-2-yl)-3-hydroxypyridin-2-yl)carbon
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    Mol. Formula:
    C20H16N2O4

    M.W.:
    348.36

    Type:
    ---

    AlogP:
    2.94

    Polar Surface Area:
    99.52

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  15. ALA5219336

    Name:
    3-Hydroxy-6-(((4-(methylcarbamoyl)phenyl)amino)pic
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    Mol. Formula:
    C16H16N4O5

    M.W.:
    344.33

    Type:
    ---

    AlogP:
    0.70

    Polar Surface Area:
    140.65

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  16. ALA5219099

    Name:
    3-Hydroxy-6-(((4-(methoxycarbonyl)phenyl)amino)pic
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    Mol. Formula:
    C16H15N3O6

    M.W.:
    345.31

    Type:
    ---

    AlogP:
    1.13

    Polar Surface Area:
    137.85

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  17. ALA5219094

    Name:
    N-((3-Hydroxy-6-phenylpyridin-2-yl)carbonyl)glycin
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    Mol. Formula:
    C14H12N2O4

    M.W.:
    272.26

    Type:
    ---

    AlogP:
    1.27

    Polar Surface Area:
    99.52

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  18. ALA5218636

    Name:
    N-((3-Hydroxy-6-(naphthalen-1-yl)pyridin-2-yl)carb
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    Mol. Formula:
    C18H14N2O4

    M.W.:
    322.32

    Type:
    ---

    AlogP:
    2.42

    Polar Surface Area:
    99.52

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  19. ALA5196038

    Name:
    7-hydroxy-3-(4-hydroxyphenyl)-8-((2S,3R,4R,5S,6R)-
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    Cas Number:
    114240-18-5

    Mol. Formula:
    C26H28O13

    M.W.:
    548.50

    Type:
    ---

    AlogP:
    -1.15

    Polar Surface Area:
    219.74

    HBA:
    13

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  20. ALA4553225

    Name:
    2-(6-Methoxy-benzo[1,3]dioxol-5-yl)-benzooxazole

    Mol. Formula:
    C15H11NO4

    M.W.:
    269.26

    Type:
    Unknown

    AlogP:
    3.23

    Polar Surface Area:
    53.72

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
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