LigandBoxID:D09366

NAME:Pardoprunox hydrochloride
SMILES: CN1CCN(c3cccc2NC(Oc32)=O)CC1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D09366

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H16N3O2 234.279 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -4.0784 -12.0217
LOGS LOGP    
-1.5627 1.4071    

Links to the same SMILES compounds

LIGANDBOX D09397
ZINC ZINC00008736
PUBCHEM 11645611 23653561 25271937 53476249 6918524
6918525


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