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PUBCHEM-ZINC01319024

 MMsINC code: MMs02796463
Type: Neutral
Formula: C10H10O4S2
SMILES:   S(=O)(=O)(C=1CCS(=O)(=O)C=1)c1ccccc1
InChI:   InChI=1/C10H10O4S2/c11-15(12)7-6-10(8-15)16(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2

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Potential Energy
Epot(MMFF94)=33.6165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.318 g/mol  logS: -2.00562  SlogP: 1.1202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184627  Sterimol/B1: 2.96202  Sterimol/B2: 3.42361  Sterimol/B3: 4.20403
  Sterimol/B4: 5.34024  Sterimol/L: 12.4735 
 
 Surface and Volume Properties
  Accessible surface: 420.926  Positive charged surface: 178.041  Negative charged surface: 242.885  Volume: 205.5
  Hydrophobic surface: 284.699  Hydrophilic surface: 136.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.