ALA1271378Name:
4-(6-chloro-2-methoxyacridin-9-ylamino)-2-hydroxybenzoic acidMol. Formula:
C21H15ClN2O4M.W.:
394.81Type:
Small moleculeAlogP:
5.20Polar Surface Area:
91.68HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA1271272Name:
6-methoxy-N-(2-(piperidin-2-yl)ethyl)quinolin-8-amineMol. Formula:
C17H23N3OM.W.:
285.39Type:
Small moleculeAlogP:
3.19Polar Surface Area:
46.18HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS
Type:
Small moleculeAlogP:
5.48Polar Surface Area:
161.34HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS
ALA1270562Name:
2-hydroxy-5-((4-(N-thiazol-2-ylsulfamoyl)phenyl)diazenyl)benzoic acidMol. Formula:
C16H12N4O5S2M.W.:
404.43Type:
Small moleculeAlogP:
3.76Polar Surface Area:
141.31HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA1270365Name:
2-hydroxy-3-((4-(N-pyridin-2-ylsulfamoyl)phenyl)diazenyl)-1-naphthoic acidMol. Formula:
C22H16N4O5SM.W.:
448.46Type:
Small moleculeAlogP:
4.85Polar Surface Area:
141.31HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS-
Type:
Small moleculeAlogP:
5.18Polar Surface Area:
170.57HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA1270267
Name:
2-hydroxy-3-((4-(N-thiazol-2-ylsulfamoyl)phenyl)diazenyl)-1-naphthoic acidMol. Formula:
C20H14N4O5S2M.W.:
454.49Type:
Small moleculeAlogP:
4.92Polar Surface Area:
141.31HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA1270169
Name:
4,4'-((4-nitrophenyl)methylene)bis(N,N-dimethylaniline)Mol. Formula:
C23H25N3O2M.W.:
375.47Type:
Small moleculeAlogP:
4.91Polar Surface Area:
49.62HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
3.75Polar Surface Area:
69.62HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
3.25Polar Surface Area:
81.42HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA1270061
Name:
5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)difuran-2-sulfonic acidMol. Formula:
C16H10N4O8S2M.W.:
450.41Type:
Small moleculeAlogP:
1.95Polar Surface Area:
186.58HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA1269954
Name:
4-((3-hydroxypyridin-2-yl)diazenyl)benzenesulfonamideMol. Formula:
C11H10N4O3SM.W.:
278.29Type:
Small moleculeAlogP:
1.85Polar Surface Area:
118.00HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
6.39Polar Surface Area:
313.17HBA:
15HBD:
6#RO5 Violations:
4#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
7.84Polar Surface Area:
279.03HBA:
13HBD:
6#RO5 Violations:
4#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
9.59Polar Surface Area:
173.37HBA:
10HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
9.59Polar Surface Area:
173.37HBA:
10HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
8.41Polar Surface Area:
238.10HBA:
12HBD:
5#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
8.31Polar Surface Area:
189.99HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
7.36Polar Surface Area:
238.10HBA:
12HBD:
5#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
7.99Polar Surface Area:
243.12HBA:
13HBD:
5#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.05DETAILS
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