ALA1161215Name:
4-Hydroxy-7-sulfo-quinoline-3-carboxylic acidCas Number:
63463-28-5Mol. Formula:
C10H7NO6SM.W.:
269.23Type:
Small moleculeAlogP:
0.89Polar Surface Area:
124.79HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
1.71Polar Surface Area:
187.16HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA160456Name:
7-Carbamoyl-4-hydroxy-quinoline-3-carboxylic acidCas Number:
63463-24-1Mol. Formula:
C11H8N2O4M.W.:
232.19Type:
Small moleculeAlogP:
0.74Polar Surface Area:
113.51HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
Small moleculeAlogP:
4.37Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
Small moleculeAlogP:
3.98Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS-
Type:
Small moleculeAlogP:
3.36Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
6.48Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA347711
Name:
4-Hydroxy-7-methoxy-quinoline-3-carboxylic acidCas Number:
28027-17-0Mol. Formula:
C11H9NO4M.W.:
219.20Type:
Small moleculeAlogP:
1.65Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA345688
Name:
7-Fluoro-4-hydroxy-quinoline-3-carboxylic acidCas Number:
63463-20-7Mol. Formula:
C10H6FNO3M.W.:
207.16Type:
Small moleculeAlogP:
1.78Polar Surface Area:
70.42HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
4.02Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
5.05Polar Surface Area:
88.88HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
4.41Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.10Polar Surface Area:
88.88HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
4.37Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.25Polar Surface Area:
88.88HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
4.89Polar Surface Area:
98.11HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA158890
Name:
4-Hydroxy-quinoline-3-carboxylic acidCas Number:
13721-01-2Mol. Formula:
C10H7NO3M.W.:
189.17Type:
Small moleculeAlogP:
1.64Polar Surface Area:
70.42HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA157710
Name:
7-Benzyloxy-4-hydroxy-quinoline-3-carboxylic acidCas Number:
17825-22-8Mol. Formula:
C17H13NO4M.W.:
295.29Type:
Small moleculeAlogP:
3.22Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
4.52Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
3.24Polar Surface Area:
88.88HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS
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