LigandBoxID:D04131

NAME:Farampator;Org 24448
SMILES: C1CCN(C(c2ccc3nonc3c2)=O)CC1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04131

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H13N3O2 231.255 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -1.9634 -9.7111
LOGS LOGP    
-2.3180 3.1352    

Links to the same SMILES compounds

CHEMBL CHEMBL1276138
PUBCHEM 20701070 4118151


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