- ALA5277450
Name:
Krasilnikolide AMol. Formula:
C36H58O9M.W.:
634.85/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.53Polar Surface Area:
145.91HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA5285399
Name:
Detalosylkrasilnikolide AMol. Formula:
C30H48O5M.W.:
488.71/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.68Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA5284934
Name:
Krasilnikolide BMol. Formula:
C37H60O9M.W.:
648.88/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.92Polar Surface Area:
145.91HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.21DETAILS Type:
---AlogP:
3.85Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.77DETAILSType:
---AlogP:
5.46Polar Surface Area:
32.86HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILSType:
---AlogP:
3.48Polar Surface Area:
153.22HBA:
8HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.23DETAILSType:
---AlogP:
4.73Polar Surface Area:
53.09HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILSType:
UnknownAlogP:
3.98Polar Surface Area:
45.75HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.52DETAILSType:
UnknownAlogP:
3.73Polar Surface Area:
45.75HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.51DETAILSType:
UnknownAlogP:
3.59Polar Surface Area:
45.75HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.54DETAILSType:
Small moleculeAlogP:
2.90Polar Surface Area:
58.97HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILSType:
Small moleculeAlogP:
4.52Polar Surface Area:
112.27HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILSType:
Small moleculeAlogP:
4.48Polar Surface Area:
129.34HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS