- ALA5280514
Name:
Quadranoside IMol. Formula:
C36H58O9M.W.:
634.85/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.32Polar Surface Area:
156.91HBA:
9HBD:
6#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA5278543
Name:
Negleschidilactone BMol. Formula:
C29H34O12M.W.:
574.58/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-0.13Polar Surface Area:
167.42HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA5278445
Name:
Methyl quadrangularate NMol. Formula:
C31H46O6M.W.:
514.70/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.65Polar Surface Area:
100.90HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA5278211
Name:
Potentillanoside AMol. Formula:
C36H56O10M.W.:
648.83/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.64Polar Surface Area:
173.98HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA5275505
Name:
Show More⌵Mol. Formula:
C30H48O5M.W.:
488.71/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.03Polar Surface Area:
97.99HBA:
4HBD:
4#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA5275275
Name:
Show More⌵Mol. Formula:
C30H48O6M.W.:
504.71/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.00Polar Surface Area:
118.22HBA:
5HBD:
5#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA5272789
Name:
Quadrangularic acid MMol. Formula:
C30H48O5M.W.:
488.71/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.18Polar Surface Area:
97.99HBA:
4HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA5286887
Name:
Quadranoside IIMol. Formula:
C36H58O10M.W.:
650.85/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.29Polar Surface Area:
177.14HBA:
10HBD:
7#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA5285799
Name:
Micrandilactone AMol. Formula:
C29H36O12M.W.:
576.60/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-0.29Polar Surface Area:
175.12HBA:
12HBD:
3#RO5 Violations:
2#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA5285421
Name:
Henridilactone DMol. Formula:
C29H36O10M.W.:
544.60/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
1.48Polar Surface Area:
134.66HBA:
10HBD:
1#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5284619
Name:
Show More⌵Mol. Formula:
C36H58O11M.W.:
666.85/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
1.26Polar Surface Area:
197.37HBA:
11HBD:
8#RO5 Violations:
3#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA5284510
Name:
6alpha-hydroxyhovenic acidMol. Formula:
C30H48O6M.W.:
504.71/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.00Polar Surface Area:
118.22HBA:
5HBD:
5#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA5289820
Name:
11beta-Hydroxylkadsuphilactone AMol. Formula:
C30H44O7M.W.:
516.68/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.68Polar Surface Area:
99.13HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA5288461
Name:
Propindilactone DMol. Formula:
C29H34O11M.W.:
558.58/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
0.76Polar Surface Area:
147.19HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA5288439
Name:
Show More⌵Mol. Formula:
C30H48O5M.W.:
488.71/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.03Polar Surface Area:
97.99HBA:
4HBD:
4#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA5287392
Name:
Show More⌵Mol. Formula:
C36H58O11M.W.:
666.85/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
1.26Polar Surface Area:
197.37HBA:
11HBD:
8#RO5 Violations:
3#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA5266211
Name:
Norquadrangularic acid BMol. Formula:
C30H50O6M.W.:
506.72/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.23Polar Surface Area:
118.22HBA:
5HBD:
5#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA5265770
Name:
Show More⌵Mol. Formula:
C30H48O6M.W.:
504.71/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.00Polar Surface Area:
118.22HBA:
5HBD:
5#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS Type:
---AlogP:
3.76Polar Surface Area:
76.66HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS- ALA4515081
Name:
2-ethyl-3-(2,4-dibromo-3-hydroxybenzoyl)benzofuranMol. Formula:
C17H12Br2O3M.W.:
424.09Type:
UnknownAlogP:
5.46Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS