ALA5277623Name:
2-(acetylsulfanyl)-N-(4-bromo-2-chloro-5-methylphenyl)acetamideMol. Formula:
C11H11BrClNO2SM.W.:
336.64Type:
---AlogP:
3.63Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS
ALA5285201Name:
1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(naphthalen-1-yl)ureaMol. Formula:
C18H14N2O3M.W.:
306.32Type:
---AlogP:
3.55Polar Surface Area:
78.43HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
---AlogP:
1.85Polar Surface Area:
119.21HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA5186991Name:
S-(2-((2-chlorophenyl)amino)-2-oxoethyl) carbamothioateMol. Formula:
C9H9ClN2O2SM.W.:
244.70Type:
---AlogP:
2.09Polar Surface Area:
72.19HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS
ALA5180526Name:
S-(2-oxo-2-(p-tolylamino)ethyl) carbamothioateMol. Formula:
C10H12N2O2SM.W.:
224.28Type:
---AlogP:
1.75Polar Surface Area:
72.19HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS-
Type:
---AlogP:
1.75Polar Surface Area:
146.76HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA5173990
Name:
S-(2-((4-methoxyphenyl)amino)-2-oxoethyl)carbamothioateMol. Formula:
C10H12N2O3SM.W.:
240.28Type:
---AlogP:
1.45Polar Surface Area:
81.42HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA5169714
Name:
S-(2-oxo-2-(m-tolylamino)ethyl) carbamothioateMol. Formula:
C10H12N2O2SM.W.:
224.28Type:
---AlogP:
1.75Polar Surface Area:
72.19HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA4649645
Name:
1-([1,1'-biphenyl]-4-yl)-3-mercaptopyrrolidine-2,5-dioneMol. Formula:
C16H13NO2SM.W.:
283.35Type:
UnknownAlogP:
2.92Polar Surface Area:
37.38HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.68DETAILS - ALA4649524
Name:
1-([1,1'-biphenyl]-3-yl)-3-mercaptopyrrolidine-2,5-dioneMol. Formula:
C16H13NO2SM.W.:
283.35Type:
UnknownAlogP:
2.92Polar Surface Area:
37.38HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.68DETAILS - ALA4648952
Name:
1-(3,4-dichlorophenyl)-3-mercaptopyrrolidine-2,5-dioneMol. Formula:
C10H7Cl2NO2SM.W.:
276.14Type:
UnknownAlogP:
2.56Polar Surface Area:
37.38HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.63DETAILS - ALA4648151
Name:
S-((2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl)ethanethioateMol. Formula:
C13H13NO3SM.W.:
263.32Type:
UnknownAlogP:
1.85Polar Surface Area:
54.45HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
UnknownAlogP:
1.04Polar Surface Area:
137.31HBA:
5HBD:
6#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4646205
Name:
1-(2,6-dichlorophenyl)-3-mercaptopyrrolidine-2,5-dioneMol. Formula:
C10H7Cl2NO2SM.W.:
276.14Type:
UnknownAlogP:
2.56Polar Surface Area:
37.38HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.63DETAILS - ALA4645866
Name:
1-(3-chloro-4-(trifluoromethoxy)phenyl)-3-mercaptopyrrolidine-2,5-dioneMol. Formula:
C11H7ClF3NO3SM.W.:
325.69Type:
UnknownAlogP:
2.80Polar Surface Area:
46.61HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4645590
Name:
1-(3-chlorophenyl)-3-mercaptopyrrolidine-2,5-dioneMol. Formula:
C10H8ClNO2SM.W.:
241.70Type:
UnknownAlogP:
1.90Polar Surface Area:
37.38HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.60DETAILS - ALA4644474
Name:
1-(3-chloro-2,6-dimethylphenyl)-3-mercaptopyrrolidine-2,5-dioneMol. Formula:
C12H12ClNO2SM.W.:
269.75Type:
UnknownAlogP:
2.52Polar Surface Area:
37.38HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.63DETAILS - ALA4644417
Name:
S-((1-(4-acetylphenyl)-2,5-dioxopyrrolidin-3-yl)methyl)ethanethioateMol. Formula:
C15H15NO4SM.W.:
305.36Type:
UnknownAlogP:
2.05Polar Surface Area:
71.52HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4643055
Name:
1-(3,4-dimethylphenyl)-3-mercaptopyrrolidine-2,5-dioneMol. Formula:
C12H13NO2SM.W.:
235.31Type:
UnknownAlogP:
1.87Polar Surface Area:
37.38HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.60DETAILS - ALA4642932
Name:
3-mercapto-1-(2-methoxyphenyl)pyrrolidine-2,5-dioneMol. Formula:
C11H11NO3SM.W.:
237.28Type:
UnknownAlogP:
1.26Polar Surface Area:
46.61HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS
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