LigandBoxID:D07765

SMILES: CN1CCC(=C4c2ccccc2C=Cc3ccccc43)CC1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D07765

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H22N 288.414 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -3.7664 -11.1459
LOGS LOGP    
-5.5829 5.8368    

Links to the same SMILES compounds

LIGANDBOX C06935 D02234 HTS1306-00018647
CHEMBL CHEMBL1716 CHEMBL516
ZINC ZINC00968264
PUBCHEM 11954233 13770 2913 4141783 43834424
44299947 45157477 481767 6441505 657241


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