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


NCID-ZINC01725569

 MMsINC code: MMs02349401
Type: Neutral
Formula: C10H11ClO2S
SMILES:   ClC1CC(S(=O)(=O)c2ccccc2)C1
InChI:   InChI=1/C10H11ClO2S/c11-8-6-10(7-8)14(12,13)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2/t8-,10-

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)=36.7991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.715 g/mol  logS: -2.84323  SlogP: 2.65  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135501  Sterimol/B1: 3.47553  Sterimol/B2: 3.92621  Sterimol/B3: 4.21498
  Sterimol/B4: 4.5374  Sterimol/L: 11.8379 
 
 Surface and Volume Properties
  Accessible surface: 405.878  Positive charged surface: 97.9061  Negative charged surface: 201.054  Volume: 198.625
  Hydrophobic surface: 283.132  Hydrophilic surface: 122.746
 
 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.