Type:
Small moleculeAlogP:
5.37Polar Surface Area:
166.89HBA:
10HBD:
5#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.19DETAILS- ALA2228189
Name:
(5Z)-3-Benzyl-5-(3-hydroxy-4-methoxybenzylidene)furan-2(5H)-oneMol. Formula:
C19H16O4M.W.:
308.33Type:
Small moleculeAlogP:
3.47Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA2228188
Name:
(Z)-3-benzyl-5-(4-hydroxybenzylidene)furan-2(5H)-oneMol. Formula:
C18H14O3M.W.:
278.31Type:
Small moleculeAlogP:
3.46Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA2228187
Name:
(Z)-3-benzyl-5-(3-hydroxybenzylidene)furan-2(5H)-oneMol. Formula:
C18H14O3M.W.:
278.31Type:
Small moleculeAlogP:
3.46Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA2228186
Name:
(Z)-3-benzyl-5-(2-hydroxybenzylidene)furan-2(5H)-oneMol. Formula:
C18H14O3M.W.:
278.31Type:
Small moleculeAlogP:
3.46Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA2228185
Name:
(5Z)-3-Benzyl-5-(4-phenylbenzylidene)furan-2(5H)-oneMol. Formula:
C24H18O2M.W.:
338.41Type:
Small moleculeAlogP:
5.42Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA2228184
Name:
(5Z)-3-Benzyl-5-[3-(N,N-dimethylamino)benzylidene]furan-2(5H)-oneMol. Formula:
C20H19NO2M.W.:
305.38Type:
Small moleculeAlogP:
3.82Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA2228183
Name:
(5Z)-3-Benzyl-5-(cyanobenzylidene)furan-2(5H)-oneMol. Formula:
C19H13NO2M.W.:
287.32Type:
Small moleculeAlogP:
3.63Polar Surface Area:
50.09HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA2228182
Name:
(5Z)-3-Benzyl-5-(2-trifluoromethylbenzylidene)furan-2(5H)-oneMol. Formula:
C19H13F3O2M.W.:
330.31Type:
Small moleculeAlogP:
4.77Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2228181
Name:
(5Z)-3-Benzyl-5-(3-trifluoromethylbenzylidene)furan-2(5H)-oneMol. Formula:
C19H13F3O2M.W.:
330.31Type:
Small moleculeAlogP:
4.77Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2228180
Name:
(5Z)-3-Benzyl-5-(4-trifluoromethylbenzylidene)furan-2(5H)-oneMol. Formula:
C19H13F3O2M.W.:
330.31Type:
Small moleculeAlogP:
4.77Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2228179
Name:
(5Z)-3-Benzyl-5-(4-cyanobenzylidene)furan-2(5H)-oneMol. Formula:
C19H13NO2M.W.:
287.32Type:
Small moleculeAlogP:
3.63Polar Surface Area:
50.09HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA2228178
Name:
(5Z)-3-Benzyl-5-(pentafluorobenzylidene)furan-2(5H)-oneMol. Formula:
C18H9F5O2M.W.:
352.26Type:
Small moleculeAlogP:
4.45Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA2228177
Name:
(5Z)-3-Benzyl-5-(2-bromobenzylidene)furan-2(5H)-oneMol. Formula:
C18H13BrO2M.W.:
341.20Type:
Small moleculeAlogP:
4.52Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA2228176
Name:
(5Z)-3-Benzyl-5-(4-ethylbenzylidene)furan-2(5H)-oneMol. Formula:
C20H18O2M.W.:
290.36Type:
Small moleculeAlogP:
4.32Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA2228175
Name:
(5Z)-3-Benzyl-5-(2-methylbenzylidene)furan-2(5H)-oneMol. Formula:
C19H16O2M.W.:
276.34Type:
Small moleculeAlogP:
4.06Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA2228174
Name:
(5Z)-3-Benzyl-5-(2-chlorobenzylidene)furan-2(5H)-oneMol. Formula:
C18H13ClO2M.W.:
296.75Type:
Small moleculeAlogP:
4.41Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA2228173
Name:
(5Z)-3-Benzyl-5-(2-fluorobenzylidene)furan-2(5H)-oneMol. Formula:
C18H13FO2M.W.:
280.30Type:
Small moleculeAlogP:
3.89Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA2228172
Name:
(5Z)-3-Benzyl-5-(3-fluorobenzylidene)furan-2(5H)-oneMol. Formula:
C18H13FO2M.W.:
280.30Type:
Small moleculeAlogP:
3.89Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA2228171
Name:
(Z)-3-benzyl-5-(4-bromobenzylidene)furan-2(5H)-oneMol. Formula:
C18H13BrO2M.W.:
341.20Type:
Small moleculeAlogP:
4.52Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS