LigandBoxID:D04533

NAME:Indorenate hydrochloride
SMILES: NCC(c2cnc1ccc(cc21)OC)C(OC)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04533

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C13H17N2O3 249.290 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -3.7625 -11.6410
LOGS LOGP    
-2.8036 2.0215    

Links to the same SMILES compounds

CHEMBL CHEMBL1203765 CHEMBL414636
ZINC ZINC00000392 ZINC01842823
PUBCHEM 71986 71987


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