LigandBoxID:D01573

NAME:Etilefrine hydrochloride;Etilefrine hydrochloride
SMILES: CCNCC(c1cccc(c1)O)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01573

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H16NO2 182.243 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 -3.9953 -12.2622
LOGS LOGP    
-1.6142 2.1237    

Links to the same SMILES compounds

LIGANDBOX D07931 HTS1610-00158421 HTS1610-00158422 HTS1610-00158423 HTS1610-00158424
HTS1610-01746084 HTS1610-01746085 KSH2016-03326153
CHEMBL CHEMBL1160706 CHEMBL86882
ZINC ZINC02040148 ZINC02040149
PUBCHEM 13668 164652 1715116 1715117 1715118
1715119 3306 5015281 51371445


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