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


PUBCHEM-ZINC04867047

 MMsINC code: MMs03179768
Type: Neutral
Formula: C11H16ClNO3S
SMILES:   Clc1cc(S(=O)(=O)NC(C)(C)C)c(OC)cc1
InChI:   InChI=1/C11H16ClNO3S/c1-11(2,3)13-17(14,15)10-7-8(12)5-6-9(10)16-4/h5-7,13H,1-4H3

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)=39.5389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.772 g/mol  logS: -2.98916  SlogP: 2.4254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.216797  Sterimol/B1: 2.32201  Sterimol/B2: 5.38693  Sterimol/B3: 5.75913
  Sterimol/B4: 5.88973  Sterimol/L: 10.5856 
 
 Surface and Volume Properties
  Accessible surface: 454.537  Positive charged surface: 255.318  Negative charged surface: 199.219  Volume: 240.5
  Hydrophobic surface: 340.801  Hydrophilic surface: 113.736
 
 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.