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  1. ALA5286778

    Name:
    methyl (2-((7-chloroquinolin-4-yl)thio)acetyl)-L-v
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    Mol. Formula:
    C17H19ClN2O3S

    M.W.:
    366.87

    Type:
    ---

    AlogP:
    3.29

    Polar Surface Area:
    68.29

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  2. ALA4791008

    Name:
    2-(5-nitrothiophen-2-yl)-N-o-tolyl-1H-benzo[d]imid
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    Mol. Formula:
    C19H14N4O3S

    M.W.:
    378.41

    Type:
    Unknown

    AlogP:
    4.76

    Polar Surface Area:
    100.92

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  3. ALA4789862

    Name:
    N-(3,5-dimethylphenyl)-2-(5-nitrothiophen-2-yl)-1H
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    Mol. Formula:
    C20H16N4O3S

    M.W.:
    392.44

    Type:
    Unknown

    AlogP:
    5.07

    Polar Surface Area:
    100.92

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. ALA4756039

    Name:
    2-(5-nitrofuran-2-yl)-N-(3,4,5-trimethoxyphenyl)-1
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    Mol. Formula:
    C21H18N4O7

    M.W.:
    438.40

    Type:
    Unknown

    AlogP:
    4.01

    Polar Surface Area:
    141.75

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  5. ALA5277432

    Name:
    methyl (2-((7-chloroquinolin-4-yl)thio)acetyl)-L-t
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    Mol. Formula:
    C23H20ClN3O3S

    M.W.:
    453.95

    Type:
    ---

    AlogP:
    4.36

    Polar Surface Area:
    84.08

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  6. ALA5272933

    Name:
    3-(2-chloro-6-methoxyquinolin-3-yl)-1-(2,3,4-trime
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    Mol. Formula:
    C22H20ClNO5

    M.W.:
    413.86

    Type:
    ---

    AlogP:
    4.82

    Polar Surface Area:
    66.88

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  7. ALA4753923

    Name:
    N-(2,5-dimethylphenyl)-2-(5-nitrofuran-2-yl)-1H-be
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    Mol. Formula:
    C20H16N4O4

    M.W.:
    376.37

    Type:
    Unknown

    AlogP:
    4.60

    Polar Surface Area:
    114.06

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  8. ALA4753799

    Name:
    N-(2,5-dimethylphenyl)-2-(5-nitrothiophen-2-yl)-1H
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    Mol. Formula:
    C20H16N4O3S

    M.W.:
    392.44

    Type:
    Unknown

    AlogP:
    5.07

    Polar Surface Area:
    100.92

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  9. ALA4753662

    Name:
    N-(2,4-dimethoxyphenyl)-2-(5-nitrofuran-2-yl)-1H-b
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    Mol. Formula:
    C20H16N4O6

    M.W.:
    408.37

    Type:
    Unknown

    AlogP:
    4.00

    Polar Surface Area:
    132.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  10. ALA4753223

    Name:
    N-(2-chlorophenyl)-2-(5-nitrothiophen-2-yl)-1H-ben
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    Mol. Formula:
    C18H11ClN4O3S

    M.W.:
    398.83

    Type:
    Unknown

    AlogP:
    5.11

    Polar Surface Area:
    100.92

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  11. ALA4794786

    Name:
    N-(4-bromophenyl)-2-(5-nitrofuran-2-yl)-1H-benzo[d
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    Mol. Formula:
    C18H11BrN4O4

    M.W.:
    427.21

    Type:
    Unknown

    AlogP:
    4.75

    Polar Surface Area:
    114.06

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  12. ALA4793469

    Name:
    2-(5-nitrofuran-2-yl)-N-o-tolyl-1H-benzo[d]imidazo
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    Mol. Formula:
    C19H14N4O4

    M.W.:
    362.35

    Type:
    Unknown

    AlogP:
    4.29

    Polar Surface Area:
    114.06

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  13. ALA4792824

    Name:
    2-(5-nitrothiophen-2-yl)-N-(4-(trifluoromethyl)phe
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    Mol. Formula:
    C19H11F3N4O3S

    M.W.:
    432.38

    Type:
    Unknown

    AlogP:
    5.47

    Polar Surface Area:
    100.92

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  14. ALA4558267

    Name:
    N-(7,8-Dichloro-4-cyano-3-trifluoromethyl-benzo[4,
    Show More

    Mol. Formula:
    C20H8Cl2F6N4O3S

    M.W.:
    569.27

    Type:
    Unknown

    AlogP:
    6.38

    Polar Surface Area:
    96.49

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  15. ALA4799962

    Name:
    N-(4-bromophenyl)-2-(5-nitrothiophen-2-yl)-1H-benz
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    Mol. Formula:
    C18H11BrN4O3S

    M.W.:
    443.28

    Type:
    Unknown

    AlogP:
    5.21

    Polar Surface Area:
    100.92

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  16. ALA4799838

    Name:
    2-(5-nitrothiophen-2-yl)-N-(3,4,5-trimethoxyphenyl
    Show More

    Mol. Formula:
    C21H18N4O6S

    M.W.:
    454.46

    Type:
    Unknown

    AlogP:
    4.48

    Polar Surface Area:
    128.61

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  17. ALA4796858

    Name:
    N-(3,4-dimethylphenyl)-2-(5-nitrothiophen-2-yl)-1H
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    Mol. Formula:
    C20H16N4O3S

    M.W.:
    392.44

    Type:
    Unknown

    AlogP:
    5.07

    Polar Surface Area:
    100.92

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  18. ALA4786187

    Name:
    N-(3-methoxyphenyl)-2-(5-nitrothiophen-2-yl)-1H-be
    Show More

    Mol. Formula:
    C19H14N4O4S

    M.W.:
    394.41

    Type:
    Unknown

    AlogP:
    4.46

    Polar Surface Area:
    110.15

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  19. ALA4785401

    Name:
    N-(3-chloro-4-methoxyphenyl)-2-(5-nitrofuran-2-yl)
    Show More

    Mol. Formula:
    C19H13ClN4O5

    M.W.:
    412.79

    Type:
    Unknown

    AlogP:
    4.65

    Polar Surface Area:
    123.29

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  20. ALA4784450

    Name:
    N-(3-methoxyphenyl)-2-(5-nitrofuran-2-yl)-1H-benzo
    Show More

    Mol. Formula:
    C19H14N4O5

    M.W.:
    378.34

    Type:
    Unknown

    AlogP:
    3.99

    Polar Surface Area:
    123.29

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
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