LigandBoxID:D00723

NAME:Tridihexethyl chloride;Pathilon
SMILES: CCN(CCC(c2ccccc2)(C1CCCCC1)O)(CC)CC

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00723

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H36NO 318.525 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 1 -3.6366 -12.3876
LOGS LOGP    
0.0101 1.2570    

Links to the same SMILES compounds

LIGANDBOX C07861 C07862 C11761
CHEMBL CHEMBL1200771 CHEMBL1201354 CHEMBL1511845
ZINC ZINC00967932 ZINC00967933
PUBCHEM 16224223 20298 20299 23277464 23277524
23277546 23618270 31334 443395 49933 49934
49936 49938 49956 54123978 6604470 9863404


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