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PUBCHEM-ZINC06333311

 MMsINC code: MMs03675882
Type: Neutral
Formula: C11H9ClN2O2S2
SMILES:   Clc1ccc(S(=O)(=O)N\N=C\c2ccsc2)cc1
InChI:   InChI=1/C11H9ClN2O2S2/c12-10-1-3-11(4-2-10)18(15,16)14-13-7-9-5-6-17-8-9/h1-8,14H/b13-7+

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Potential Energy
Epot(MMFF94)=69.5404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.79 g/mol  logS: -3.90068  SlogP: 2.7139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106622  Sterimol/B1: 2.82087  Sterimol/B2: 4.27958  Sterimol/B3: 4.89506
  Sterimol/B4: 5.79034  Sterimol/L: 13.9797 
 
 Surface and Volume Properties
  Accessible surface: 490.725  Positive charged surface: 176.821  Negative charged surface: 313.904  Volume: 244.125
  Hydrophobic surface: 380.636  Hydrophilic surface: 110.089
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.