LigandBoxID:D02408

NAME:Trimipramine maleate;Surmontil
SMILES: CN(CC(CN3c1ccccc1CCc2ccccc32)C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02408

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H27N2 295.450 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 1 -3.9017 -11.2631
LOGS LOGP    
-5.2328 2.4643    

Links to the same SMILES compounds

LIGANDBOX C14029 D00394 HTS1610-00246879 HTS1610-00246880 HTS1610-00246881
CHEMBL CHEMBL1200948 CHEMBL1435477 CHEMBL644
ZINC ZINC00968275 ZINC03831586
PUBCHEM 107128 11621210 17756745 21158552 29010887
3045275 40467257 45040644 45040645 5232618 5282318
5282594 5584 57369430 6504735 6604024


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