Type:
---AlogP:
8.59Polar Surface Area:
100.90HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
---AlogP:
7.78Polar Surface Area:
121.13HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.08DETAILS
Type:
---AlogP:
8.59Polar Surface Area:
100.90HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
---AlogP:
2.43Polar Surface Area:
177.14HBA:
10HBD:
7#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.18DETAILS
Type:
---AlogP:
1.99Polar Surface Area:
89.07HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS-
Type:
---AlogP:
7.14Polar Surface Area:
112.83HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5197605
Name:
5-(4-chlorophenyl)-3-(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)isoxazoleMol. Formula:
C21H19ClF3N3OM.W.:
421.85Type:
---AlogP:
5.34Polar Surface Area:
32.51HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA5196388
Name:
5-phenyl-3-(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)isoxazoleMol. Formula:
C21H20F3N3OM.W.:
387.40Type:
---AlogP:
4.68Polar Surface Area:
32.51HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
---AlogP:
5.70Polar Surface Area:
32.51HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA5202148
Name:
4-(3-(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)isoxazol-5-yl)phenolMol. Formula:
C21H20F3N3O2M.W.:
403.40Type:
---AlogP:
4.39Polar Surface Area:
52.74HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
---AlogP:
5.87Polar Surface Area:
67.77HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
---AlogP:
8.37Polar Surface Area:
100.90HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
---AlogP:
7.78Polar Surface Area:
121.13HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
---AlogP:
9.21Polar Surface Area:
91.67HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
---AlogP:
7.78Polar Surface Area:
121.13HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
---AlogP:
8.66Polar Surface Area:
80.67HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
---AlogP:
8.88Polar Surface Area:
80.67HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
---AlogP:
4.66Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
---AlogP:
5.22Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS
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