LigandBoxID:D08673

SMILES: CCOc2ccccc2OCC1CNCCO1

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D08673

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C13H20NO3 238.307 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -4.2395 -11.6751
LOGS LOGP    
-1.8343 1.4647    

Links to the same SMILES compounds

LIGANDBOX D02572
CHEMBL CHEMBL250052 CHEMBL251072 CHEMBL306700
ZINC ZINC00000833 ZINC01999403
PUBCHEM 12226596 12226598 24848384 46864229 5666
71424


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