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


ASINEX-ZINC00095021

 MMsINC code: MMs00073990
Type: Neutral
Formula: C11H10ClNO3S2
SMILES:   Clc1sc(S(=O)(=O)Nc2ccccc2OC)cc1
InChI:   InChI=1/C11H10ClNO3S2/c1-16-9-5-3-2-4-8(9)13-18(14,15)11-7-6-10(12)17-11/h2-7,13H,1H3

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)=56.3834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.79 g/mol  logS: -4.10766  SlogP: 3.2109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.320979  Sterimol/B1: 2.53628  Sterimol/B2: 5.01236  Sterimol/B3: 5.20777
  Sterimol/B4: 7.28082  Sterimol/L: 11.3742 
 
 Surface and Volume Properties
  Accessible surface: 471.333  Positive charged surface: 223.37  Negative charged surface: 247.963  Volume: 242.125
  Hydrophobic surface: 386.764  Hydrophilic surface: 84.569
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.