D02584

LigandBoxID:D02584

NAME:Aliconazole
SMILES: [Cl]c1ccc(C(Cn2ccnc2)=Cc3ccc(cc3[Cl])[Cl])cc1

2D	3D

SDF file D02584 [show] [download] [KEGG DRUG]	MOL2 file D02584-01 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C18H13N2Cl3	363.675	0	0
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
1	0	-0.8270	-9.4150
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
-0.681325006E+01	0.955601454E+00	+	3.6570

Links to the same SMILES compounds

PUBCHEM

[Back to top page]