5-MeO-DMT   Click here for help

GtoPdb Ligand ID: 145

Synonyms: 5-methoxydimethyltryptamine | MeODMT
PDB Ligand
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 28.26
Molecular weight 218.14
XLogP 1.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COc1ccc2c(c1)c(CCN(C)C)c[nH]2
Isomeric SMILES COc1ccc2c(c1)c(CCN(C)C)c[nH]2
InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
InChI Key ZSTKHSQDNIGFLM-UHFFFAOYSA-N