ALA2298937Name:
5-[3-(2-Hydroxy-phenyl)-acryloyl]-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C13H10N2O4SM.W.:
290.30Type:
Small moleculeAlogP:
0.12Polar Surface Area:
95.50HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS
ALA2298936Name:
5-(3-Phenyl-acryloyl)-2-thioxo-dihydro-pyrimidine-4,6-dioneMol. Formula:
C13H10N2O3SM.W.:
274.30Type:
Small moleculeAlogP:
0.42Polar Surface Area:
75.27HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA2298935Name:
5-[3-(4-Hydroxy-phenyl)-acryloyl]-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C13H10N2O4SM.W.:
290.30Type:
Small moleculeAlogP:
0.12Polar Surface Area:
95.50HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS
ALA2298934Name:
5-[3-(2-Chloro-phenyl)-acryloyl]-2-thioxo-dihydropyrimidine-4,6-diMol. Formula:
C13H9ClN2O3SM.W.:
308.75Type:
Small moleculeAlogP:
1.07Polar Surface Area:
75.27HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA2298933Name:
5-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C15H14N2O5SM.W.:
334.35Type:
Small moleculeAlogP:
0.43Polar Surface Area:
93.73HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS- ALA2298932
Name:
5-[3-(4-Methoxy-phenyl)-acryloyl]-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C14H12N2O4SM.W.:
304.33Type:
Small moleculeAlogP:
0.42Polar Surface Area:
84.50HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA2298931
Name:
Thioxo-5-(3-p-tolyl-acryloyl)-dihydro-pyrimidine-4,6-dioneMol. Formula:
C14H12N2O3SM.W.:
288.33Type:
Small moleculeAlogP:
0.72Polar Surface Area:
75.27HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA2298930
Name:
5-[3-(4-Nitro-phenyl)-acryloyl]-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C13H9N3O5SM.W.:
319.30Type:
Small moleculeAlogP:
0.32Polar Surface Area:
118.41HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA2298929
Name:
5-[3-(3-Nitro-phenyl)-acryloyl]-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C13H9N3O5SM.W.:
319.30Type:
Small moleculeAlogP:
0.32Polar Surface Area:
118.41HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA2298928
Name:
5-[3-(4-Chloro-phenyl)-acryloyl]-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C13H9ClN2O3SM.W.:
308.75Type:
Small moleculeAlogP:
1.07Polar Surface Area:
75.27HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA2298927
Name:
5-(3-Naphthalen-2-yl-acryloyl)-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C17H12N2O3SM.W.:
324.36Type:
Small moleculeAlogP:
1.57Polar Surface Area:
75.27HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA2272494
Name:
biphenyl-4-yl((2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl)methanoneMol. Formula:
C22H18O3M.W.:
330.38Type:
Small moleculeAlogP:
4.69Polar Surface Area:
38.83HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS
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