ML9

Ligand id: 4256

Name: ML9

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 57.79
Molecular weight 324.07
XLogP 2.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(5-chloronaphthalene-1-sulfonyl)-1,4-diazepane
Database Links
CAS Registry No. 110448-31-2 (source: Scifinder)
ChEMBL Ligand CHEMBL429298
PubChem CID 4217
Search Google for chemical match using the InChIKey OZSMSRIUUDGTEP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OZSMSRIUUDGTEP
Search UniChem for chemical match using the InChIKey OZSMSRIUUDGTEP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OZSMSRIUUDGTEP