LigandBoxID:C07001

NAME:Flecainide
SMILES: C1CCC(CNC(c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)=O)NC1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_COMPOUND
C07001

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H21N2O3F6 415.354 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -4.2829 -12.0729
LOGS LOGP    
5.6205 2.8522    

Links to the same SMILES compounds

LIGANDBOX D00638 D07962 HTS1610-00157152 HTS1610-00157153
CHEMBL CHEMBL1200822 CHEMBL251457 CHEMBL398673 CHEMBL652
ZINC ZINC00896543 ZINC03830842
PUBCHEM 11705938 17782083 21447164 23200778 28125477
3355 3356 40467171 41022 46864232 6603850
6604414


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