LigandBoxID:D08294

NAME:Olprinone
SMILES: N#CC2=CC(c1ccc3NCCn3c1)=C(NC2=O)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08294

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H10N4O 250.261 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -1.4028 -8.9809
LOGS LOGP    
-3.8430 1.8284    

Links to the same SMILES compounds

LIGANDBOX C13546 D02042


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