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


ENAMINE-ZINC02637428

 MMsINC code: MMs01266601
Type: Neutral
Formula: C10H6Cl2FNO2S2
SMILES:   Clc1cc(F)c(NS(=O)(=O)c2sc(Cl)cc2)cc1
InChI:   InChI=1/C10H6Cl2FNO2S2/c11-6-1-2-8(7(13)5-6)14-18(15,16)10-4-3-9(12)17-10/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)=40.6545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.199 g/mol  logS: -5.08655  SlogP: 3.9948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.235643  Sterimol/B1: 2.86963  Sterimol/B2: 5.02138  Sterimol/B3: 5.0613
  Sterimol/B4: 5.37516  Sterimol/L: 12.1015 
 
 Surface and Volume Properties
  Accessible surface: 460.726  Positive charged surface: 132.335  Negative charged surface: 328.391  Volume: 236
  Hydrophobic surface: 380.162  Hydrophilic surface: 80.564
 
 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.