LigandBoxID:D07791

NAME:Desipramine
SMILES: CNCCCN1c2ccccc2CCc3ccccc31

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07791

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H23N2 267.396 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -4.0953 -11.2220
LOGS LOGP    
-3.6666 4.3011    

Links to the same SMILES compounds

LIGANDBOX C06943 D00812 HTS1610-00159158 HTS1610-00159159 KSH2016-00034098
KSH2016-01832199 PDB_DSM
CHEMBL CHEMBL1696 CHEMBL227644 CHEMBL72
ZINC ZINC01530611
PUBCHEM 11130244 151119 1548958 19786252 21126127
24207697 2995 44299392 45038863 45038864 45038865
450814 46241281 65327 657326 9936846


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