D06651

LigandBoxID:D06651

NAME:Taribavirin hydrochloride;Viramidine
SMILES: OCC2OC(n1cnc(n1)C(=N)N)C(C2O)O

2D	3D
	select 3D conformers:
SDF file D06651 [show] [download] [KEGG DRUG]	MOL2 file D06651-01 : [show] [download] D06651-01o : [show] [download] D06651-02 : [show] [download] D06651-03 : [show] [download] D06651-04 : [show] [download] D06651-05 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C8H14N5O4	244.231	1	7
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
6	4	-5.0700	-13.3760
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
0.537122011E+01	0.569203451E-06	+	0.7017

Links to the same SMILES compounds

CHEMBL	CHEMBL1191224	CHEMBL1193407	CHEMBL423086	CHEMBL542294	CHEMBL542931
CHEMBL544807	CHEMBL607930
ZINC	ZINC05883189	ZINC05883190	ZINC35653286	ZINC36373787
PUBCHEM	10802658	11425046	11736657	162010	162011
25207818	25230591	25241421	25241422	25241423	362948
362949	44341325	44341326	451447	451448	45261577
46783249	46783250	46783251	53629286	57347919	57824590
58647359	59108290	60065982	9860489	9860490	9899585

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