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


CHEMDIV-ZINC02602240

 MMsINC code: MMs00883557
Type: Neutral
Formula: C11H10ClNO2S2
SMILES:   Clc1sc(S(=O)(=O)Nc2ccc(cc2)C)cc1
InChI:   InChI=1/C11H10ClNO2S2/c1-8-2-4-9(5-3-8)13-17(14,15)11-7-6-10(12)16-11/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)=37.8496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.791 g/mol  logS: -4.5312  SlogP: 3.51072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201774  Sterimol/B1: 3.46031  Sterimol/B2: 4.01496  Sterimol/B3: 4.08142
  Sterimol/B4: 5.79732  Sterimol/L: 12.879 
 
 Surface and Volume Properties
  Accessible surface: 466.285  Positive charged surface: 187.96  Negative charged surface: 278.325  Volume: 234.875
  Hydrophobic surface: 382.96  Hydrophilic surface: 83.325
 
 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.