LigandBoxID:D05345

NAME:Pamatolol sulfate
SMILES: COC(NCCc1ccc(cc1)OCC(CNC(C)C)O)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D05345

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H27N2O4 311.402 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -4.0776 -11.4153
LOGS LOGP    
$$$$ $$$$    

Links to the same SMILES compounds

PUBCHEM 20032207 23724980 43149 43150 9961851


[Back to top page]