LigandBoxID:D00319

NAME:Felodipine;Plendil
SMILES: CCOC(c2c(nc(c(c2c1cccc(c1[Cl])[Cl])C(OC)=O)C)C)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00319

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H19NO4Cl2 384.259 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -0.2516 -8.6691
LOGS LOGP    
-5.2201 3.8939    

Links to the same SMILES compounds

LIGANDBOX HTS1610-00128033 HTS1610-00128034 HTS1610-00736837 HTS1610-00736838 KSH2016-01632789
PDB_225
CHEMBL CHEMBL1480 CHEMBL254609 CHEMBL428768
ZINC ZINC01849578
PUBCHEM 19026228 20214968 25007952 3333 45038792
45039246 46781564 46781565 56655543 56656277 56656399
62970 636806 941699


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