Type:
Small moleculeAlogP:
6.36Polar Surface Area:
109.76HBA:
10HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.18DETAILS
ALA4093484Name:
8,8'-Disulfanediylbis(quinoline-3-carboxylic Acid)Cas Number:
1414882-25-9Mol. Formula:
C20H12N2O4S2M.W.:
408.46Type:
Small moleculeAlogP:
4.98Polar Surface Area:
100.38HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
5.16Polar Surface Area:
78.38HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.31DETAILS
Type:
Small moleculeAlogP:
5.40Polar Surface Area:
102.44HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.26DETAILS
Type:
Small moleculeAlogP:
2.37Polar Surface Area:
75.11HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS-
Type:
Small moleculeAlogP:
8.27Polar Surface Area:
99.69HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
7.57Polar Surface Area:
83.98HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
3.39Polar Surface Area:
136.58HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
6.23Polar Surface Area:
109.76HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
2.83Polar Surface Area:
12.89HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
4.76Polar Surface Area:
194.78HBA:
12HBD:
4#RO5 Violations:
2#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
7.72Polar Surface Area:
83.98HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
9.48Polar Surface Area:
83.98HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
7.44Polar Surface Area:
83.98HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA4065865
Name:
8,8'-Disulfanediylbis(quinoline-4-carboxylic Acid)Mol. Formula:
C20H12N2O4S2M.W.:
408.46Type:
Small moleculeAlogP:
4.98Polar Surface Area:
100.38HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
6.06Polar Surface Area:
136.04HBA:
10HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
5.16Polar Surface Area:
78.38HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
5.23Polar Surface Area:
135.54HBA:
12HBD:
2#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
2.83Polar Surface Area:
12.89HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
7.57Polar Surface Area:
83.98HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS
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