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


ASINEX-ZINC00470093

 MMsINC code: MMs00136365
Type: Neutral
Formula: C10H6ClF2NO2S2
SMILES:   Clc1sc(S(=O)(=O)Nc2cc(F)c(F)cc2)cc1
InChI:   InChI=1/C10H6ClF2NO2S2/c11-9-3-4-10(17-9)18(15,16)14-6-1-2-7(12)8(13)5-6/h1-5,14H

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)=35.0149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.744 g/mol  logS: -4.64724  SlogP: 3.4805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.276676  Sterimol/B1: 2.49008  Sterimol/B2: 4.4605  Sterimol/B3: 4.85592
  Sterimol/B4: 5.32696  Sterimol/L: 12.0983 
 
 Surface and Volume Properties
  Accessible surface: 449.189  Positive charged surface: 139.683  Negative charged surface: 309.506  Volume: 220.625
  Hydrophobic surface: 366.016  Hydrophilic surface: 83.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.