ALA4089840Name:
5-(2-oxo-2-phenylethoxy)isoquinolin-1(2H)-oneCas Number:
1048371-03-4Mol. Formula:
C17H13NO3M.W.:
279.30Type:
Small moleculeAlogP:
2.79Polar Surface Area:
59.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA4287655Name:
4-(4-Formylphenoxy)benzamideCas Number:
676494-67-0Mol. Formula:
C14H11NO3M.W.:
241.25Type:
Small moleculeAlogP:
2.39Polar Surface Area:
69.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
Small moleculeAlogP:
3.49Polar Surface Area:
78.84HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
2.55Polar Surface Area:
73.26HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS
Type:
Small moleculeAlogP:
0.40Polar Surface Area:
52.23HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS-
Type:
Small moleculeAlogP:
1.37Polar Surface Area:
65.12HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS -
Type:
Small moleculeAlogP:
0.87Polar Surface Area:
45.75HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.65DETAILS
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