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


CHEMBLOCK-ZINC01048260

 MMsINC code: MMs00510873
Type: Ionized
Formula: C6H3Cl3NO2S-
SMILES:   Clc1cc(Cl)c(Cl)cc1S(=O)([O-])=[NH]
InChI:   InChI=1/C6H3Cl3NO2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,(H-,10,11,12)/q-1

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)=20.9154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.52 g/mol  logS: -3.83875  SlogP: 2.6184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653399  Sterimol/B1: 3.17829  Sterimol/B2: 3.18745  Sterimol/B3: 3.26643
  Sterimol/B4: 5.8351  Sterimol/L: 10.986 
 
 Surface and Volume Properties
  Accessible surface: 369.983  Positive charged surface: 61.4848  Negative charged surface: 308.498  Volume: 175.75
  Hydrophobic surface: 266.684  Hydrophilic surface: 103.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 3  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:  
   
Parent related molecule:


MMs00510872
CHEMBLOCK-ZINC01048260