LigandBoxID:D01358

NAME:Mianserin hydrochloride;Tetramide
SMILES: CN1CCN4C(c3ccccc3Cc2ccccc42)C1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01358

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H21N2 265.380 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 2 -3.9450 -11.6345
LOGS LOGP    
-3.7849 4.5575    

Links to the same SMILES compounds

LIGANDBOX D08216
CHEMBL CHEMBL1329927 CHEMBL252719 CHEMBL544428 CHEMBL6437
ZINC ZINC00000504
PUBCHEM 10445853 10849161 154315 154412 25271696
4184 44148535 44148744 44269055 45039931 657192
68551


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