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  1. ALA2299388

    Name:
    4-chloro-2-(3-(4-chlorophenylsulfonamido)quinoxali
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    Mol. Formula:
    C21H14Cl2N4O4S

    M.W.:
    489.34

    Type:
    Small molecule

    AlogP:
    5.18

    Polar Surface Area:
    121.28

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  2. ALA2299387

    Name:
    3-((5-(4-(3-fluorobenzyloxy)benzylidene)-3-methyl-
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    Mol. Formula:
    C25H19FN2O4S

    M.W.:
    462.50

    Type:
    Small molecule

    AlogP:
    5.34

    Polar Surface Area:
    79.20

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  3. ALA2299386

    Name:
    2-chloro-5-(5-((5-(4-chlorophenyl)-2-oxofuran-3(2H
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    Mol. Formula:
    C22H12Cl2O5

    M.W.:
    427.24

    Type:
    Small molecule

    AlogP:
    5.93

    Polar Surface Area:
    76.74

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  4. ALA2296001

    Name:
    3-((5-(4-(4-fluorobenzyloxy)benzylidene)-3-methyl-
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    Mol. Formula:
    C25H19FN2O4S

    M.W.:
    462.50

    Type:
    Small molecule

    AlogP:
    5.34

    Polar Surface Area:
    79.20

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  5. ALA2296000

    Name:
    3-((3-methyl-5-(4-(3-nitrobenzyloxy)benzylidene)-4
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    Mol. Formula:
    C25H19N3O6S

    M.W.:
    489.51

    Type:
    Small molecule

    AlogP:
    5.11

    Polar Surface Area:
    122.34

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  6. ALA2295999

    Name:
    3-(5-((2-oxo-5-p-tolylfuran-3(2H)-ylidene)methyl)f
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    Mol. Formula:
    C23H16O5

    M.W.:
    372.38

    Type:
    Small molecule

    AlogP:
    4.93

    Polar Surface Area:
    76.74

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. ALA2295998

    Name:
    3-(5-((5-(4-chlorophenyl)-2-oxofuran-3(2H)-ylidene
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    Mol. Formula:
    C22H13ClO5

    M.W.:
    392.79

    Type:
    Small molecule

    AlogP:
    5.28

    Polar Surface Area:
    76.74

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  8. ALA2295997

    Name:
    4-((5-(2-(2-cyanobenzyloxy)benzylidene)-3-ethyl-4-
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    Mol. Formula:
    C27H21N3O4S

    M.W.:
    483.55

    Type:
    Small molecule

    AlogP:
    5.46

    Polar Surface Area:
    102.99

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  9. ALA2295996

    Name:
    4-(2-(2-(3,5-diethylphenoxy)ethoxy)benzylidene)-1-
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    Mol. Formula:
    C28H28N2O4

    M.W.:
    456.54

    Type:
    Small molecule

    AlogP:
    4.73

    Polar Surface Area:
    67.87

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  10. ALA2295995

    Name:
    3-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiaz
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    Cas Number:
    641998-61-0

    Mol. Formula:
    C20H15NO4S2

    M.W.:
    397.48

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    66.84

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  11. ALA2295994

    Name:
    5-hydroxy-2-(2-(4-oxo-5-(3-phenylallylidene)-2-thi
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    Mol. Formula:
    C21H16N2O5S2

    M.W.:
    440.50

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    106.94

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  12. ALA2295993

    Name:
    3-(5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxothia
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    Mol. Formula:
    C17H11NO5S2

    M.W.:
    373.41

    Type:
    Small molecule

    AlogP:
    3.20

    Polar Surface Area:
    98.07

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  13. ALA2295992

    Name:
    3-(5-((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)
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    Cas Number:
    6237-83-8

    Mol. Formula:
    C22H16N4O5S2

    M.W.:
    480.53

    Type:
    Small molecule

    AlogP:
    4.12

    Polar Surface Area:
    118.57

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
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