LigandBoxID:D03239

NAME:Ladostigil tartrate
SMILES: C#CCNC2CCc1ccc(cc21)OC(N(CC)C)=O

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D03239

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H21N2O2 273.356 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 -4.1100 -11.8340
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.546840012E+00 0.272009522E-02 - 0.4992

Links to the same SMILES compounds

CHEMBL CHEMBL1788299 CHEMBL255231 CHEMBL51271 CHEMBL544636
ZINC ZINC27623417
PUBCHEM 11055964 11120416 11607225 11625965 16666425
208907 23645314 23645315 52913921 53398672 6918437
6918440 9818098 9818099

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