LigandBoxID:D03217

NAME:Avanafil;Stendra
SMILES: OCC4CCCN4c3ncc(c(n3)NCc2ccc(c(c2)[Cl])OC)C(NCc1ncccn1)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03217

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C23H26N7O3Cl 483.960 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 1 -0.3404 -8.8678
LOGS LOGP    
-5.5459 2.4603    

Links to the same SMILES compounds

LIGANDBOX KSH2016-03557685
CHEMBL CHEMBL1963681
ZINC ZINC11677851 ZINC11677857
PUBCHEM 18762634 49780077 49780078 49780079 49780080
49780081 49780281 49781157 49781158 49781159 49781160
49781372 49781373 49781374 49781375 49783341 9869929


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