LigandBoxID:D02389

NAME:Primidolol
SMILES: OC(COc2ccccc2C)CNCCN1C=C(C(NC1=O)=O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02389

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H24N3O4 334.396 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -4.3084 -12.3190
LOGS LOGP    
-3.5662 1.1878    

Links to the same SMILES compounds

LIGANDBOX C11774
CHEMBL CHEMBL1742460
PUBCHEM 176173 68563


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