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PUBCHEM-ZINC02869155

 MMsINC code: MMs02947972
Type: Neutral
Formula: C10H13NO2S2
SMILES:   S(C)c1ccc(S(=O)(=O)NC2CC2)cc1
InChI:   InChI=1/C10H13NO2S2/c1-14-9-4-6-10(7-5-9)15(12,13)11-8-2-3-8/h4-8,11H,2-3H2,1H3

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Potential Energy
Epot(MMFF94)=22.5079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.351 g/mol  logS: -2.79664  SlogP: 1.8492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113864  Sterimol/B1: 2.50655  Sterimol/B2: 3.51209  Sterimol/B3: 4.21981
  Sterimol/B4: 6.10392  Sterimol/L: 13.5018 
 
 Surface and Volume Properties
  Accessible surface: 448.687  Positive charged surface: 226.428  Negative charged surface: 222.26  Volume: 217.375
  Hydrophobic surface: 280.768  Hydrophilic surface: 167.919
 
 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.