LigandBoxID:D08626

NAME:Trazodone;Trittico
SMILES: [Cl]c2cccc(N1CCN(CC1)CCCN3N=C4C=CC=CN4C3=O)c2

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08626

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H23N5OCl 372.880 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -3.9593 -10.8368
LOGS LOGP    
-4.3388 3.9299    

Links to the same SMILES compounds

LIGANDBOX C07156 D00820 HTS1610-00116517
ZINC ZINC00538483 ZINC00538483


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