logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


CHEMDIV-ZINC01611906

 MMsINC code: MMs00867405
Type: Neutral
Formula: C15H9ClO4S
SMILES:   Clc1ccc(S(=O)(=O)C2=Cc3c(OC2=O)cccc3)cc1
InChI:   InChI=1/C15H9ClO4S/c16-11-5-7-12(8-6-11)21(18,19)14-9-10-3-1-2-4-13(10)20-15(14)17/h1-9H

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=60.7264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.752 g/mol  logS: -5.50587  SlogP: 3.0738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115595  Sterimol/B1: 3.10074  Sterimol/B2: 3.85482  Sterimol/B3: 4.75967
  Sterimol/B4: 5.32384  Sterimol/L: 15.0174 
 
 Surface and Volume Properties
  Accessible surface: 495.663  Positive charged surface: 196.526  Negative charged surface: 299.138  Volume: 261
  Hydrophobic surface: 394.731  Hydrophilic surface: 100.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.