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  1. ALA2253313

    Name:
    2,3-dihydrorobustaflavone 5-methyl ether

    Mol. Formula:
    C31H22O10

    M.W.:
    554.51

    Type:
    Small molecule

    AlogP:
    5.37

    Polar Surface Area:
    166.89

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA2228189

    Name:
    (5Z)-3-Benzyl-5-(3-hydroxy-4-methoxybenzylidene)furan-2(5H)-one

    Mol. Formula:
    C19H16O4

    M.W.:
    308.33

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    55.76

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  3. ALA2228188

    Name:
    (Z)-3-benzyl-5-(4-hydroxybenzylidene)furan-2(5H)-one

    Mol. Formula:
    C18H14O3

    M.W.:
    278.31

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  4. ALA2228187

    Name:
    (Z)-3-benzyl-5-(3-hydroxybenzylidene)furan-2(5H)-one

    Mol. Formula:
    C18H14O3

    M.W.:
    278.31

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  5. ALA2228186

    Name:
    (Z)-3-benzyl-5-(2-hydroxybenzylidene)furan-2(5H)-one

    Mol. Formula:
    C18H14O3

    M.W.:
    278.31

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  6. ALA2228185

    Name:
    (5Z)-3-Benzyl-5-(4-phenylbenzylidene)furan-2(5H)-one

    Mol. Formula:
    C24H18O2

    M.W.:
    338.41

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  7. ALA2228184

    Name:
    (5Z)-3-Benzyl-5-[3-(N,N-dimethylamino)benzylidene]furan-2(5H)-one

    Mol. Formula:
    C20H19NO2

    M.W.:
    305.38

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    29.54

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  8. ALA2228183

    Name:
    (5Z)-3-Benzyl-5-(cyanobenzylidene)furan-2(5H)-one

    Mol. Formula:
    C19H13NO2

    M.W.:
    287.32

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    50.09

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  9. ALA2228182

    Name:
    (5Z)-3-Benzyl-5-(2-trifluoromethylbenzylidene)furan-2(5H)-one

    Mol. Formula:
    C19H13F3O2

    M.W.:
    330.31

    Type:
    Small molecule

    AlogP:
    4.77

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  10. ALA2228181

    Name:
    (5Z)-3-Benzyl-5-(3-trifluoromethylbenzylidene)furan-2(5H)-one

    Mol. Formula:
    C19H13F3O2

    M.W.:
    330.31

    Type:
    Small molecule

    AlogP:
    4.77

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  11. ALA2228180

    Name:
    (5Z)-3-Benzyl-5-(4-trifluoromethylbenzylidene)furan-2(5H)-one

    Mol. Formula:
    C19H13F3O2

    M.W.:
    330.31

    Type:
    Small molecule

    AlogP:
    4.77

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  12. ALA2228179

    Name:
    (5Z)-3-Benzyl-5-(4-cyanobenzylidene)furan-2(5H)-one

    Mol. Formula:
    C19H13NO2

    M.W.:
    287.32

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    50.09

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  13. ALA2228178

    Name:
    (5Z)-3-Benzyl-5-(pentafluorobenzylidene)furan-2(5H)-one

    Mol. Formula:
    C18H9F5O2

    M.W.:
    352.26

    Type:
    Small molecule

    AlogP:
    4.45

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  14. ALA2228177

    Name:
    (5Z)-3-Benzyl-5-(2-bromobenzylidene)furan-2(5H)-one

    Mol. Formula:
    C18H13BrO2

    M.W.:
    341.20

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  15. ALA2228176

    Name:
    (5Z)-3-Benzyl-5-(4-ethylbenzylidene)furan-2(5H)-one

    Mol. Formula:
    C20H18O2

    M.W.:
    290.36

    Type:
    Small molecule

    AlogP:
    4.32

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  16. ALA2228175

    Name:
    (5Z)-3-Benzyl-5-(2-methylbenzylidene)furan-2(5H)-one

    Mol. Formula:
    C19H16O2

    M.W.:
    276.34

    Type:
    Small molecule

    AlogP:
    4.06

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  17. ALA2228174

    Name:
    (5Z)-3-Benzyl-5-(2-chlorobenzylidene)furan-2(5H)-one

    Mol. Formula:
    C18H13ClO2

    M.W.:
    296.75

    Type:
    Small molecule

    AlogP:
    4.41

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  18. ALA2228173

    Name:
    (5Z)-3-Benzyl-5-(2-fluorobenzylidene)furan-2(5H)-one

    Mol. Formula:
    C18H13FO2

    M.W.:
    280.30

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  19. ALA2228172

    Name:
    (5Z)-3-Benzyl-5-(3-fluorobenzylidene)furan-2(5H)-one

    Mol. Formula:
    C18H13FO2

    M.W.:
    280.30

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  20. ALA2228171

    Name:
    (Z)-3-benzyl-5-(4-bromobenzylidene)furan-2(5H)-one

    Mol. Formula:
    C18H13BrO2

    M.W.:
    341.20

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
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