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


ENAMINE-ZINC03208837

MMsINC code: MMs01306927

Type: Neutral
Formula: C12H5Cl2F5N2O2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NNc1c(F)c(F)c(F)c(F)c1F
InChI:   InChI=1/C12H5Cl2F5N2O2S/c13-4-1-2-5(14)6(3-4)24(22,23)21-20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3,20-21H

Download   format file 
Drug Similarity  |  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)=77.0303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.146 g/mol  logS: -5.97013  SlogP: 3.9943  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102519  Sterimol/B1: 3.24287  Sterimol/B2: 4.09079  Sterimol/B3: 4.52633
  Sterimol/B4: 5.92043  Sterimol/L: 14.4307 
 
 Surface and Volume Properties
  Accessible surface: 516.546  Positive charged surface: 150.504  Negative charged surface: 366.043  Volume: 267.875
  Hydrophobic surface: 440.592  Hydrophilic surface: 75.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.