Ligand Id: 4305
Ligand name S3969

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 90.42
Molecular weight 320.16
XLogP 3.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide
Synonyms
N-(2-hydroxyethyl)-4-methyl-2-(4-methyl-1H-indol-3-ylthio)pentanamide
Database Links
Search on ChemSpider FTNIWEHRMFLJKE-UHFFFAOYSA-N
ZINC ZINC43197819, ZINC43197820

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org