Type:
---AlogP:
4.03Polar Surface Area:
71.09HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILSType:
---AlogP:
3.84Polar Surface Area:
58.20HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILSType:
---AlogP:
3.47Polar Surface Area:
58.20HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILSType:
---AlogP:
3.37Polar Surface Area:
71.09HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILSType:
---AlogP:
3.58Polar Surface Area:
67.43HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILSType:
---AlogP:
4.35Polar Surface Area:
58.20HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS- ALA4754342
Name:
NAMol. Formula:
C337H509N93O94S8M.W.:
7623.87/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA512079
Name:
(5-(1-Benzyl-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamineMol. Formula:
C17H15N5OM.W.:
305.34Type:
Small moleculeAlogP:
2.59Polar Surface Area:
82.76HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA448556
Name:
6-(fluoromethyl)-5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamineMol. Formula:
C11H8Cl3FN4M.W.:
321.57Type:
Small moleculeAlogP:
3.74Polar Surface Area:
77.82HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS