MRS1066

Ligand id: 396

Name: MRS1066

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 48.67
Molecular weight 332.1
XLogP 5.92
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-ethoxy-7-[(E)-2-phenylethenyl]pyrano[3,2-f][1]benzoxol-5-one
Database Links
BindingDB Ligand 50051338
ChEMBL Ligand CHEMBL76874
PubChem CID 10806465
Search Google for chemical match using the InChIKey TZRUAYHMQMKKLT-CMDGGOBGSA-N
Search Google for chemicals with the same backbone TZRUAYHMQMKKLT
Search UniChem for chemical match using the InChIKey TZRUAYHMQMKKLT-CMDGGOBGSA-N
Search UniChem for chemicals with the same backbone TZRUAYHMQMKKLT