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PUBCHEM-ZINC00378909

 MMsINC code: MMs02667498
Type: Neutral
Formula: C11H10ClNO2S2
SMILES:   Clc1cccc(NS(=O)(=O)c2sccc2)c1C
InChI:   InChI=1/C11H10ClNO2S2/c1-8-9(12)4-2-5-10(8)13-17(14,15)11-6-3-7-16-11/h2-7,13H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.8264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.791 g/mol  logS: -3.90649  SlogP: 3.51072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.325165  Sterimol/B1: 2.12079  Sterimol/B2: 3.49417  Sterimol/B3: 5.33052
  Sterimol/B4: 6.56206  Sterimol/L: 11.5048 
 
 Surface and Volume Properties
  Accessible surface: 442.143  Positive charged surface: 176.604  Negative charged surface: 265.539  Volume: 230.5
  Hydrophobic surface: 366.518  Hydrophilic surface: 75.625
 
 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
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Ions/Tautomers related molecules: no related molecules available.