- ALA5271385
Name:
Show More⌵Mol. Formula:
C37H28FN5O4M.W.:
625.66/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
7.14Polar Surface Area:
112.83HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA5271183
Name:
Mol. Formula:
C98H179N31O17S2+2M.W.:
2127.84/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5278625
Name:
RosamultinMol. Formula:
C36H58O10M.W.:
650.85/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.43Polar Surface Area:
177.14HBA:
10HBD:
7#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA5285924
Name:
Mol. Formula:
C18H19FN6OSM.W.:
386.46/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
1.99Polar Surface Area:
89.07HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS Type:
---AlogP:
8.37Polar Surface Area:
100.90HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.10DETAILSType:
---AlogP:
7.78Polar Surface Area:
121.13HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.08DETAILSType:
---AlogP:
9.21Polar Surface Area:
91.67HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.11DETAILSType:
---AlogP:
8.59Polar Surface Area:
100.90HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILSType:
---AlogP:
7.78Polar Surface Area:
121.13HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.08DETAILSType:
---AlogP:
8.59Polar Surface Area:
100.90HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILSType:
---AlogP:
8.66Polar Surface Area:
80.67HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.14DETAILSType:
---AlogP:
8.88Polar Surface Area:
80.67HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.14DETAILSType:
---AlogP:
5.08Polar Surface Area:
187.59HBA:
7HBD:
6#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.09DETAILS- 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- 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