ALA4647986Name:
3-[[4-(2-pyridyl)thiazol-2-yl]amino]benzoic acidMol. Formula:
C15H11N3O2SM.W.:
297.34Type:
UnknownAlogP:
3.65Polar Surface Area:
75.11HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA4635554Name:
4-[[4-(4-chlorophenyl)thiazol-2-yl]amino]-2-hydroxy-benzoic acidMol. Formula:
C16H11ClN2O3SM.W.:
346.80Type:
UnknownAlogP:
4.61Polar Surface Area:
82.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS
ALA1934319Name:
5-(3-chlorobenzyl)benzo[c][2,6]naphthyridine-8-carboxylic acidMol. Formula:
C20H13ClN2O2M.W.:
348.79Type:
Small moleculeAlogP:
4.73Polar Surface Area:
63.08HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA1934318Name:
5-(3-chlorophenylthio)benzo[c][2,6]naphthyridine-8-carboxylic acidMol. Formula:
C19H11ClN2O2SM.W.:
366.83Type:
Small moleculeAlogP:
5.29Polar Surface Area:
63.08HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA1934193Name:
5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acidMol. Formula:
C19H11ClN2O3M.W.:
350.76Type:
Small moleculeAlogP:
4.93Polar Surface Area:
72.31HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS-
Type:
Small moleculeAlogP:
4.90Polar Surface Area:
66.32HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA1934191
Name:
5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acidMol. Formula:
C19H11ClN2O2M.W.:
334.76Type:
Small moleculeAlogP:
4.80Polar Surface Area:
63.08HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA1934190
Name:
5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-9-carboxylic acidMol. Formula:
C19H11ClN2O2M.W.:
334.76Type:
Small moleculeAlogP:
4.80Polar Surface Area:
63.08HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA1934189
Name:
5-(4-chlorophenyl)-8-(1H-tetrazol-5-yl)benzo[c][2,6]naphthyridineMol. Formula:
C19H11ClN6M.W.:
358.79Type:
Small moleculeAlogP:
4.28Polar Surface Area:
80.24HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA1934188
Name:
5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrileMol. Formula:
C19H10ClN3M.W.:
315.76Type:
Small moleculeAlogP:
4.98Polar Surface Area:
49.57HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA1934187
Name:
5-(4-chlorophenyl)-N-methoxybenzo[c][2,6]naphthyridine-8-carboxamideMol. Formula:
C20H14ClN3O2M.W.:
363.80Type:
Small moleculeAlogP:
4.39Polar Surface Area:
64.11HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA1934186
Name:
5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamideMol. Formula:
C19H12ClN3OM.W.:
333.78Type:
Small moleculeAlogP:
4.20Polar Surface Area:
68.87HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA1934185
Name:
methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylateMol. Formula:
C20H13ClN2O2M.W.:
348.79Type:
Small moleculeAlogP:
4.89Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA1934184
Name:
5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acidMol. Formula:
C17H9ClN2O2SM.W.:
340.79Type:
Small moleculeAlogP:
4.86Polar Surface Area:
63.08HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA1934183
Name:
5-(4-methylthiophen-3-yl)benzo[c][2,6]naphthyridine-8-carboxylic acidMol. Formula:
C18H12N2O2SM.W.:
320.37Type:
Small moleculeAlogP:
4.52Polar Surface Area:
63.08HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA1934182
Name:
5-(thiophen-3-yl)benzo[c][2,6]naphthyridine-8-carboxylic acidMol. Formula:
C17H10N2O2SM.W.:
306.35Type:
Small moleculeAlogP:
4.21Polar Surface Area:
63.08HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA1934181
Name:
5-(4-chlorophenyl)-3-(ethylamino)pyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C20H15ClN4O2M.W.:
378.82Type:
Small moleculeAlogP:
4.63Polar Surface Area:
88.00HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA1934180
Name:
3-(cyclopropylamino)-5-phenylpyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C21H16N4O2M.W.:
356.39Type:
Small moleculeAlogP:
4.12Polar Surface Area:
88.00HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA1934179
Name:
5-(3-carbamoylphenyl)pyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C19H12N4O3M.W.:
344.33Type:
Small moleculeAlogP:
2.64Polar Surface Area:
119.06HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA1934178
Name:
5-(3-hydroxyphenyl)pyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C18H11N3O3M.W.:
317.30Type:
Small moleculeAlogP:
3.25Polar Surface Area:
96.20HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS
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