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


ASINEX-ZINC00143763

 MMsINC code: MMs00082103
Type: Neutral
Formula: C11H13Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N1CCCCC1
InChI:   InChI=1/C11H13Cl2NO2S/c12-9-4-5-10(13)11(8-9)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2

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)=24.4678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.202 g/mol  logS: -3.52117  SlogP: 3.168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108216  Sterimol/B1: 2.52927  Sterimol/B2: 4.16067  Sterimol/B3: 4.61417
  Sterimol/B4: 4.883  Sterimol/L: 13.2091 
 
 Surface and Volume Properties
  Accessible surface: 450.956  Positive charged surface: 220.815  Negative charged surface: 230.141  Volume: 238.625
  Hydrophobic surface: 399.221  Hydrophilic surface: 51.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.