LigandBoxID:D07302

NAME:Bornaprine
SMILES: CCN(CCCOC(C3(c1ccccc1)CC2CCC3C2)=O)CC

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07302

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H32NO2 330.492 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 3 -4.0684 -11.8398
LOGS LOGP    
-4.2187 5.1724    

Links to the same SMILES compounds

PUBCHEM 168623 30160


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