ALA3612979Name:
(4RS)-(+/-)-3,4-Dihydro-4-isopropyl-6-methylpyrimidin-2(1H)-thioneMol. Formula:
C8H14N2SM.W.:
170.28Type:
Small moleculeAlogP:
1.39Polar Surface Area:
24.06HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.58DETAILS
Type:
Small moleculeAlogP:
3.42Polar Surface Area:
24.06HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA3612977Name:
(4RS)-(+/-)-4-(2-Chlorophenyl)-3,4-dihydro-6-methylpyrimidin-2(1H)-thioneMol. Formula:
C11H11ClN2SM.W.:
238.74Type:
Small moleculeAlogP:
2.76Polar Surface Area:
24.06HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.74DETAILS
ALA3612976Name:
(4RS)-(+/-)-3,4-Dihydro-6-methyl-4-(2-nitrophenyl)pyrimidine-2(1H)-thioneMol. Formula:
C11H11N3O2SM.W.:
249.29Type:
Small moleculeAlogP:
2.02Polar Surface Area:
67.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA3612975Name:
(4RS)-(+/-)-3,4-Dihydro-6-methyl-4-(4-nitrophenyl)pyrimidine-2(1H)-thioneMol. Formula:
C11H11N3O2SM.W.:
249.29Type:
Small moleculeAlogP:
2.02Polar Surface Area:
67.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS- ALA3612974
Name:
(4RS)-(+/-)-3,4-Dihydro-4-(4-methoxyphenyl)-6-methylpyrimidine-2(1H)-thioneMol. Formula:
C12H14N2OSM.W.:
234.32Type:
Small moleculeAlogP:
2.12Polar Surface Area:
33.29HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
3.13Polar Surface Area:
24.06HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA3264524
Name:
ethyl 2-methyl-5-(naphthalen-2-yloxy)benzofuran-3-carboxylateMol. Formula:
C22H18O4M.W.:
346.38Type:
Small moleculeAlogP:
5.86Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
8.59Polar Surface Area:
116.10HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
6.31Polar Surface Area:
116.10HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
6.21Polar Surface Area:
89.80HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
6.05Polar Surface Area:
171.85HBA:
8HBD:
5#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
6.50Polar Surface Area:
89.80HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
5.47Polar Surface Area:
89.80HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
5.09Polar Surface Area:
89.80HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS
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