- ALA5278258
Name:
Aquastatin AMol. Formula:
C37H54O12M.W.:
690.83/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.53Polar Surface Area:
203.44HBA:
11HBD:
7#RO5 Violations:
4#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.05DETAILS - ALA5276897
Name:
Show More⌵Mol. Formula:
C18H15Cl2NOSM.W.:
364.30/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.16Polar Surface Area:
22.00HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA5274978
Name:
Show More⌵Mol. Formula:
C20H16Cl3NOM.W.:
392.71/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.76Polar Surface Area:
22.00HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA5273284
Name:
Show More⌵Mol. Formula:
C24H24N4O2M.W.:
400.48/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.70Polar Surface Area:
74.33HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA5291446
Name:
Show More⌵Mol. Formula:
C24H24N4O2M.W.:
400.48/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.70Polar Surface Area:
74.33HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA5269135
Name:
Show More⌵Mol. Formula:
C26H26N6O3M.W.:
470.53/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.05Polar Surface Area:
102.24HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA5268904
Name:
Show More⌵Mol. Formula:
C21H19N3O3SM.W.:
393.47/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.78Polar Surface Area:
71.53HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA5268393
Name:
ComplestatinMol. Formula:
C61H45Cl6N7O15M.W.:
1328.78/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5283864
Name:
(Z)-14-methylpentadec-9-enoic acidMol. Formula:
C16H30O2M.W.:
254.41/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.18Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA5283342
Name:
(Z)-15-methylhexadec-9-enoic acidMol. Formula:
C17H32O2M.W.:
268.44/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.57Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.35DETAILS Type:
Small moleculeAlogP:
3.25Polar Surface Area:
38.77HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS- ALA4214922
Name:
rac-N-(4-(2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl)phenyl)acetamideMol. Formula:
C20H22N2O2M.W.:
322.41Type:
Small moleculeAlogP:
3.20Polar Surface Area:
49.41HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS