- ALA5270135
Name:
Astragaloside VIIIMol. Formula:
C47H76O17M.W.:
913.11/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
1.34Polar Surface Area:
274.75HBA:
16HBD:
10#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.12DETAILS - ALA5268935
Name:
Wistariasaponin YC1Mol. Formula:
C53H86O22M.W.:
1075.25/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5268018
Name:
Kleinhospitine BMol. Formula:
C30H37NO4M.W.:
475.63/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.03Polar Surface Area:
72.47HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA5282061
Name:
Lupinoside PA1Mol. Formula:
C53H86O23M.W.:
1091.25/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5281015
Name:
7-(3,4-dihydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)heptan-3-oneMol. Formula:
C20H24O5M.W.:
344.41/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.73Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA5278578
Name:
Show More⌵Mol. Formula:
C60H98O28M.W.:
1267.42/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5277227
Name:
Kleinhospitine DMol. Formula:
C30H37NO4M.W.:
475.63/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.03Polar Surface Area:
72.47HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA5276551
Name:
Licorice-saponin G2Mol. Formula:
C42H62O17M.W.:
838.94/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
1.22Polar Surface Area:
287.27HBA:
14HBD:
9#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA5274731
Name:
Macedonoside AMol. Formula:
C42H62O16M.W.:
822.94/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.25Polar Surface Area:
267.04HBA:
13HBD:
8#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA5285494
Name:
Chikusetsusaponin IVMol. Formula:
C47H74O18M.W.:
927.09/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
0.87Polar Surface Area:
291.82HBA:
17HBD:
10#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.09DETAILS - ALA5285384
Name:
Show More⌵Mol. Formula:
C23H30O8M.W.:
434.49/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.80Polar Surface Area:
125.68HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA5282884
Name:
Dehydrosoyasaponin IMol. Formula:
C48H76O18M.W.:
941.12/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
0.91Polar Surface Area:
291.82HBA:
17HBD:
10#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA5289066
Name:
Lupinoside PA4Mol. Formula:
C54H88O22M.W.:
1089.28/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5288671
Name:
Show More⌵Mol. Formula:
C54H88O23M.W.:
1105.28/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5287484
Name:
Akebia saponin DMol. Formula:
C47H76O18M.W.:
929.11/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-0.25Polar Surface Area:
294.98HBA:
18HBD:
11#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.08DETAILS - ALA5287257
Name:
22beta-acetoxyglycyrrhizinMol. Formula:
C44H64O18M.W.:
880.98/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
1.79Polar Surface Area:
293.34HBA:
15HBD:
8#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA5267673
Name:
Comploside IIMol. Formula:
C54H88O23M.W.:
1105.28/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5266708
Name:
Subproside VMol. Formula:
C54H88O24M.W.:
1121.27/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5266256
Name:
Wistariasaponin YC2Mol. Formula:
C54H88O23M.W.:
1105.28/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4581780
Name:
Ethyl (E)-2-(4-chloro-2-(2-nitrovinyl)phenoxy)-2-methylpropanoateMol. Formula:
C14H16ClNO5M.W.:
313.74Type:
UnknownAlogP:
3.31Polar Surface Area:
78.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS