Type:
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 acidMol. 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
ALA160455Name:
4-Hydroxy-7-(naphthalen-2-ylmethoxy)-quinoline-3-carboxylic acidMol. Formula:
C21H15NO4M.W.:
345.35Type:
Small moleculeAlogP:
4.37Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS
ALA160792Name:
7-(4-Bromo-benzyloxy)-4-hydroxy-quinoline-3-carboxylic acidMol. Formula:
C17H12BrNO4M.W.:
374.19Type:
Small moleculeAlogP:
3.98Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS- ALA156384
Name:
7-(4-Fluoro-benzyloxy)-4-hydroxy-quinoline-3-carboxylic acidMol. Formula:
C17H12FNO4M.W.:
313.28Type:
Small moleculeAlogP:
3.36Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA156108
Name:
4-Hydroxy-7-pentachlorophenylmethoxy-quinoline-3-carboxylic acidMol. Formula:
C17H8Cl5NO4M.W.:
467.52Type:
Small moleculeAlogP:
6.48Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS - 4-Hydroxy-7-methoxyquinoline-3-carboxylic acid
Name:
4-Hydroxy-7-methoxy-quinoline-3-carboxylic acidMol. 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 - 7-Fluoro-4-hydroxyquinoline-3-carboxylic acid
Name:
7-Fluoro-4-hydroxy-quinoline-3-carboxylic acidMol. 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 - ALA160432
Name:
7-[2-(4-Bromo-phenyl)-ethoxy]-4-hydroxy-quinoline-3-carboxylic acidMol. Formula:
C18H14BrNO4M.W.:
388.22Type:
Small moleculeAlogP:
4.02Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA348630
Name:
4-Hydroxy-7-[2-(4-phenoxy-phenyl)-ethoxy]-quinoline-3-carboxylic acidMol. Formula:
C24H19NO5M.W.:
401.42Type:
Small moleculeAlogP:
5.05Polar Surface Area:
88.88HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA155684
Name:
4-Hydroxy-7-(2-naphthalen-2-yl-ethoxy)-quinoline-3-carboxylic acidMol. Formula:
C22H17NO4M.W.:
359.38Type:
Small moleculeAlogP:
4.41Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA157580
Name:
4-Hydroxy-7-(2-phenoxy-ethoxy)-quinoline-3-carboxylic acidMol. Formula:
C18H15NO5M.W.:
325.32Type:
Small moleculeAlogP:
3.10Polar Surface Area:
88.88HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA155958
Name:
4-Hydroxy-7-(naphthalen-1-ylmethoxy)-quinoline-3-carboxylic acidMol. Formula:
C21H15NO4M.W.:
345.35Type:
Small moleculeAlogP:
4.37Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA156707
Name:
4-Hydroxy-7-[2-(naphthalen-2-yloxy)-ethoxy]-quinoline-3-carboxylic acidMol. Formula:
C22H17NO5M.W.:
375.38Type:
Small moleculeAlogP:
4.25Polar Surface Area:
88.88HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA160429
Name:
4-Hydroxy-7-[2-(4-phenoxy-phenoxy)-ethoxy]-quinoline-3-carboxylic acidMol. Formula:
C24H19NO6M.W.:
417.42Type:
Small moleculeAlogP:
4.89Polar Surface Area:
98.11HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS - 1,4-Dihydro-4-oxoquinoline-3-carboxylic Acid
Name:
4-Hydroxy-quinoline-3-carboxylic acidMol. 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 acidMol. 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 - ALA157654
Name:
7-(3,4-Dichloro-benzyloxy)-4-hydroxy-quinoline-3-carboxylic acidMol. Formula:
C17H11Cl2NO4M.W.:
364.18Type:
Small moleculeAlogP:
4.52Polar Surface Area:
79.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA155672
Name:
7-[2-(4-Fluoro-phenoxy)-ethoxy]-4-hydroxy-quinoline-3-carboxylic acidMol. Formula:
C18H14FNO5M.W.:
343.31Type:
Small moleculeAlogP:
3.24Polar Surface Area:
88.88HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS
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