LigandBoxID:D03170

NAME:Bucindolol hydrochloride
SMILES: N#Cc1ccccc1OCC(CNC(Cc3cnc2ccccc32)(C)C)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03170

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H26N3O2 364.469 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -3.8313 -11.1984
LOGS LOGP    
-5.1250 3.2972    

Links to the same SMILES compounds

LIGANDBOX PDB_G90
CHEMBL CHEMBL321582
ZINC ZINC01842330 ZINC04212206
PUBCHEM 12619631 12619632 23330534 23330535 23330541
23330545 23330547 37888172 40479636 51044 51045
9953369


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