Type:
---AlogP:
3.53Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
---AlogP:
3.98Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
---AlogP:
4.34Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
Small moleculeAlogP:
2.30Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.67DETAILS
Type:
Small moleculeAlogP:
1.05Polar Surface Area:
81.70HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS-
Type:
Small moleculeAlogP:
0.46Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.65DETAILS - ALA4249449
Name:
(S)-propyl 5-oxopyrrolidine-2-carboxylateCas Number:
85153-83-9Mol. Formula:
C8H13NO3M.W.:
171.20Type:
Small moleculeAlogP:
0.22Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
1.18Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.60DETAILS - ALA4249358
Name:
(S)-N,N-dimethyl-5-oxopyrrolidine-2-carboxamideCas Number:
63438-53-9Mol. Formula:
C7H12N2O2M.W.:
156.19Type:
Small moleculeAlogP:
-0.65Polar Surface Area:
49.41HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
1.83Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
0.18Polar Surface Area:
58.20HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA4245646
Name:
(S)-isopropyl 5-oxopyrrolidine-2-carboxylateCas Number:
52989-50-1Mol. Formula:
C8H13NO3M.W.:
171.20Type:
Small moleculeAlogP:
0.22Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.60DETAILS - ALA4245626
Name:
(S)-4-chlorophenyl 5-oxopyrrolidine-2-carboxylateMol. Formula:
C11H10ClNO3M.W.:
239.66Type:
Small moleculeAlogP:
1.52Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
0.61Polar Surface Area:
78.43HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA4243843
Name:
(S)-2-cyanophenyl 5-oxopyrrolidine-2-carboxylateMol. Formula:
C12H10N2O3M.W.:
230.22Type:
Small moleculeAlogP:
0.74Polar Surface Area:
79.19HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4243050
Name:
(S)-5-oxopyrrolidine-2-carboxamideCas Number:
16395-57-6Mol. Formula:
C5H8N2O2M.W.:
128.13Type:
Small moleculeAlogP:
-1.25Polar Surface Area:
72.19HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
-0.01Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.48DETAILS - ALA4241833
Name:
(S)-2-nitrophenyl 5-oxopyrrolidine-2-carboxylateMol. Formula:
C11H10N2O5M.W.:
250.21Type:
Small moleculeAlogP:
0.78Polar Surface Area:
98.54HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA4241409
Name:
(S)-2-chlorophenyl 5-oxopyrrolidine-2-carboxylateMol. Formula:
C11H10ClNO3M.W.:
239.66Type:
Small moleculeAlogP:
1.52Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.63DETAILS - ALA4241053
Name:
(S)-naphthalen-1-yl 5-oxopyrrolidine-2-carboxylateCas Number:
67934-90-1Mol. Formula:
C15H13NO3M.W.:
255.27Type:
Small moleculeAlogP:
2.02Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.66DETAILS
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