LigandBoxID:D00636

NAME:Amiodarone hydrochloride;Ancaron;Cordarone
SMILES: CCCCc2oc3ccccc3c2C(c1cc(c(c(c1)I)OCCN(CC)CC)I)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00636

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C25H30NO3I2 646.327 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -4.2333 -10.8332
LOGS LOGP    
-8.6616 5.7268    

Links to the same SMILES compounds

LIGANDBOX C06823 D02910 HTS1610-00158976 HTS1610-00158977 KSH2016-00641684
KSH2016-01678751
CHEMBL CHEMBL1083993 CHEMBL633
ZINC ZINC03830212
PUBCHEM 11679659 2156 2157 24189191 29770
441325 45038158 45038159 450474 49849436 49849437
657191 9833512


[Back to top page]