LigandBoxID:D02034

NAME:Setiptiline maleate;Tecipul
SMILES: CN1CCC4=C(c2ccccc2Cc3ccccc43)C1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02034

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H20N 262.376 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 1 -3.8603 -12.0064
LOGS LOGP    
-5.4958 2.9575    

Links to the same SMILES compounds

LIGANDBOX D08511
ZINC ZINC01482169
PUBCHEM 11641406 5205 5282470 53486999


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