LigandBoxID:D06246

NAME:Tripelennamine citrate;PBZ
SMILES: CN(CCN(c2ccccn2)Cc1ccccc1)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D06246

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H22N3 256.373 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -4.1398 -11.9291
LOGS LOGP    
-2.2334 -0.2657    

Links to the same SMILES compounds

LIGANDBOX C07180 D02091 D08645 HTS1610-00157383 HTS1610-02682843
CHEMBL CHEMBL1200446 CHEMBL1200769 CHEMBL1241
ZINC ZINC00057524 ZINC19117728
PUBCHEM 197066 3859614 43833334 45114192 53437112
53437113 5587 57351135 6436701 657216 6921816
9066


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