Type:
---AlogP:
3.75Polar Surface Area:
184.83HBA:
14HBD:
3#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.25DETAILS
Type:
---AlogP:
0.19Polar Surface Area:
264.55HBA:
12HBD:
8#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.14DETAILS
Type:
---AlogP:
5.99Polar Surface Area:
92.30HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS
Type:
---AlogP:
4.89Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
---AlogP:
5.43Polar Surface Area:
66.38HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS-
Type:
---AlogP:
-3.49Polar Surface Area:
258.23HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
---AlogP:
4.19Polar Surface Area:
107.97HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
---AlogP:
6.12Polar Surface Area:
84.85HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
---AlogP:
2.15Polar Surface Area:
63.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA5279559
Name:
7-(pyrrolidin-1-yl)-2-(3,4,5-trimethoxybenzoyl)quinoline-5,8-dioneMol. Formula:
C23H22N2O6M.W.:
422.44Type:
---AlogP:
2.70Polar Surface Area:
95.03HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
---AlogP:
-1.99Polar Surface Area:
278.54HBA:
11HBD:
8#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
-0.07Polar Surface Area:
179.76HBA:
6HBD:
7#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
---AlogP:
1.74Polar Surface Area:
207.35HBA:
15HBD:
3#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
---AlogP:
3.87Polar Surface Area:
107.97HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
3.23Polar Surface Area:
162.98HBA:
10HBD:
5#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
---AlogP:
4.58Polar Surface Area:
107.97HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
3.57Polar Surface Area:
130.73HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
---AlogP:
3.11Polar Surface Area:
123.11HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS
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