LigandBoxID:D07758

NAME:Cyclobenzaprine
SMILES: CN(CCC=C3c1ccccc1C=Cc2ccccc32)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07758

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H22N 276.403 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -3.9480 -11.1065
LOGS LOGP    
-5.3647 5.9942    

Links to the same SMILES compounds

LIGANDBOX C06931 D00772 HTS1610-00125644 KSH2016-03829485
CHEMBL CHEMBL1200636 CHEMBL669
ZINC ZINC00968263
PUBCHEM 22576 23615653 24849121 2895 45038745
45038746 49849594 49849595 49849596 5351883 57515965
9825925 9934929


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