ALA4566905Name:
5-(thiophen-2-yl)indoline-2,3-dioneCas Number:
132898-97-6Mol. Formula:
C12H7NO2SM.W.:
229.26Type:
UnknownAlogP:
2.55Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.76DETAILS
Type:
UnknownAlogP:
4.01Polar Surface Area:
73.72HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
UnknownAlogP:
3.13Polar Surface Area:
73.72HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
0.20Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
3.01Polar Surface Area:
52.57HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.76DETAILS- ALA1651902
Name:
(R,S)N-Benzyl-4-hydroxy-2-morpholinobutanamideMol. Formula:
C15H22N2O3M.W.:
278.35Type:
Small moleculeAlogP:
0.39Polar Surface Area:
61.80HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
-1.87Polar Surface Area:
78.59HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
0.61Polar Surface Area:
64.60HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
-0.04Polar Surface Area:
64.60HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
1.91Polar Surface Area:
69.80HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
3.78Polar Surface Area:
55.81HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
3.75Polar Surface Area:
65.04HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
5.18Polar Surface Area:
37.63HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS
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