Type:
Small moleculeAlogP:
2.04Polar Surface Area:
62.55HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA4176101Name:
5-(3-Pyridin-3-yl-allylidene)-2-thioxo-dihydro-pyrimidine-4,6-dioneMol. Formula:
C12H9N3O2SM.W.:
259.29Type:
Small moleculeAlogP:
0.55Polar Surface Area:
71.09HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
3.04Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA4175037Name:
1-Allyl-5-(3-thiophen-2-yl-allylidene)-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C14H12N2O2S2M.W.:
304.40Type:
Small moleculeAlogP:
2.12Polar Surface Area:
49.41HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA4174100Name:
1,3-Diethyl-5-(3-phenyl-allylidene)-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C17H18N2O2SM.W.:
314.41Type:
Small moleculeAlogP:
2.62Polar Surface Area:
40.62HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS- ALA4173840
Name:
1,3-Diallyl-5-(3-phenyl-allylidene)-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C19H18N2O2SM.W.:
338.43Type:
Small moleculeAlogP:
2.95Polar Surface Area:
40.62HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
2.85Polar Surface Area:
40.62HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4171596
Name:
2-Selenoxo-5-(3-thiophen-2-yl-allylidene)-dihydropyrimidine-4,6-dioneMol. Formula:
C11H8N2O2SSeM.W.:
311.22Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4170805
Name:
5-(3-Thiophen-2-yl-allylidene)-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C11H8N2O2S2M.W.:
264.33Type:
Small moleculeAlogP:
1.22Polar Surface Area:
58.20HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4168259
Name:
5-(5-Phenyl-penta-2,4-dienylidene)-2-thioxo-dihydropyrimidine-4,6-dione .Mol. Formula:
C15H12N2O2SM.W.:
284.34Type:
Small moleculeAlogP:
1.71Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
3.14Polar Surface Area:
49.41HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4167289
Name:
1-Ethyl-5-(3-phenyl-allylidene)-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C15H14N2O2SM.W.:
286.36Type:
Small moleculeAlogP:
1.89Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
2.79Polar Surface Area:
40.62HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4165444
Name:
5-(3-Furan-2-yl-allylidene)-2-thioxo-dihydro-pyrimidine-4,6-dioneMol. Formula:
C11H8N2O3SM.W.:
248.26Type:
Small moleculeAlogP:
0.75Polar Surface Area:
71.34HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4164820
Name:
5-(3-Naphthalen-1-yl-allylidene)-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C17H12N2O2SM.W.:
308.36Type:
Small moleculeAlogP:
2.31Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4164388
Name:
5-(3-Phenyl-allylidene)-2-selenoxo-dihydro-pyrimidine-4,6-dioneMol. Formula:
C13H10N2O2SeM.W.:
305.19Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
2.38Polar Surface Area:
53.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
2.55Polar Surface Area:
53.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA4160982
Name:
5-(3-Furan-2-yl-allylidene)-2-selenoxo-dihydropyrimidine-4,6-dioneMol. Formula:
C11H8N2O3SeM.W.:
295.16Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4160028
Name:
1-Ethyl-5-(3-thiophen-2-yl-allylidene)-2-thioxo-dihydropyrimidine-4,6-dioneMol. Formula:
C13H12N2O2S2M.W.:
292.39Type:
Small moleculeAlogP:
1.95Polar Surface Area:
49.41HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS
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