LigandBoxID:D00735

NAME:Dyclonine hydrochloride;Dyclone
SMILES: CCCCOc2ccc(C(CCN1CCCCC1)=O)cc2

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00735

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H28NO2 290.427 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -3.8900 -11.7530
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.225531006E+01 0.305360481E-01 - 0.7725

Links to the same SMILES compounds

LIGANDBOX 00096997 C07881 D07881
CHEMBL CHEMBL1200478 CHEMBL1201217
ZINC ZINC01530940
PUBCHEM 1549002 17770532 24183034 25141451 3180
44657536 657369 68304 9869846

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