compound 1 [PMID: 17935984]

Ligand id: 6526

Name: compound 1 [PMID: 17935984]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 102.96
Molecular weight 402.12
XLogP 2.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]-1,3-diazinane-2,4,6-trione
Database Links
ChEBI CHEBI:45030
ChEMBL Ligand CHEMBL222002
DrugBank Ligand DB08388
PubChem CID 657061
RCSB PDB Ligand PFD
Search Google for chemical match using the InChIKey XRSYNYGEEYTXJV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XRSYNYGEEYTXJV
Search UniChem for chemical match using the InChIKey XRSYNYGEEYTXJV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XRSYNYGEEYTXJV
SynPHARM 78451 (in complex with MMP13)
Comments
MMP13 inhibitor