LigandBoxID:D04103

NAME:Etoformin hydrochloride
SMILES: CCCCNC(NC(=N)N)=NCC

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04103

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C8H19N5 185.275 0 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 0.6551 -8.6959
LOGS LOGP    
$$$$ $$$$    

Links to the same SMILES compounds

LIGANDBOX HTS1610-00284455


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