LigandBoxID:D00432

NAME:Nadolol;Corgard
SMILES: CC(NCC(COc2cccc1CC(C(Cc21)O)O)O)(C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00432

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H28NO4 310.414 1 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 3 -3.9698 -11.5368
LOGS LOGP    
-2.7312 2.1479    

Links to the same SMILES compounds

LIGANDBOX KSH2016-01202529
CHEMBL CHEMBL1473523 CHEMBL255028 CHEMBL400326 CHEMBL521606 CHEMBL649
ZINC ZINC03812974 ZINC03831165 ZINC03831166 ZINC03831167
PUBCHEM 11255327 11591062 11823027 179658 21121966
39147 4411 49852445 57237300 7048577 7048578
7048711 7048712 7048713 7048714 7048715 7048716


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