- ALA5272331
Name:
FuconazoleMol. Formula:
C13H13FN6OM.W.:
288.29/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
0.60Polar Surface Area:
81.65HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA5270956
Name:
Show More⌵Mol. Formula:
C16H16N2O9M.W.:
380.31/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-1.58Polar Surface Area:
171.31HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA5269784
Name:
Show More⌵Mol. Formula:
C21H17N7O2M.W.:
399.41/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.70Polar Surface Area:
144.35HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA5277357
Name:
Show More⌵Mol. Formula:
C22H15Cl2N3S2M.W.:
456.42/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
7.53Polar Surface Area:
28.49HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA5274221
Name:
Sclerodermin BMol. Formula:
C47H62N8O14M.W.:
963.05/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-1.40Polar Surface Area:
338.15HBA:
13HBD:
12#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.09DETAILS - ALA5291255
Name:
Show More⌵Mol. Formula:
C16H16N2O8M.W.:
364.31/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-1.28Polar Surface Area:
151.08HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA5290576
Name:
Show More⌵Mol. Formula:
C16H17N3O8M.W.:
379.33/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-1.70Polar Surface Area:
177.10HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA5290045
Name:
Sclerodermin AMol. Formula:
C47H62N8O15M.W.:
979.05/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-2.43Polar Surface Area:
358.38HBA:
14HBD:
13#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.08DETAILS - ALA5206475
Name:
(E)-2-methoxy-4-(prop-1-en-1-yl)-1-(prop-2-yn-1-yloxy)benzeneMol. Formula:
C13H14O2M.W.:
202.25Type:
---AlogP:
2.74Polar Surface Area:
18.46HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS Type:
---AlogP:
3.02Polar Surface Area:
106.26HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILSType:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILSType:
---AlogP:
2.44Polar Surface Area:
18.46HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILSType:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILSType:
---AlogP:
2.40Polar Surface Area:
109.92HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILSType:
---AlogP:
3.95Polar Surface Area:
106.47HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.22DETAILS- ALA5193126
Name:
(4-allyl-2-methoxyphenoxy)(tert-butyl)dimethylsilaneMol. Formula:
C16H26O2SiM.W.:
278.47Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS