LigandBoxID:D00303

NAME:Disopyramide;Rythmodan P
SMILES: CC(N(CCC(c2ccccn2)(c1ccccc1)C(=O)N)C(C)C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00303

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H30N3O 340.491 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 -3.9387 -12.3825
LOGS LOGP    
-4.0755 3.7049    

Links to the same SMILES compounds

LIGANDBOX C06965 C07740 D00637 HTS1610-00136708 HTS1610-00136709
PDB_DP0
CHEMBL CHEMBL1201020 CHEMBL269362 CHEMBL517 CHEMBL8821
ZINC ZINC01530617 ZINC01530618
PUBCHEM 12612329 156294 156295 16048557 21756474
22930351 3041677 30928 3114 36688110 36688111
45039104


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