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PUBCHEM-ZINC01318914

 MMsINC code: MMs02796458
Type: Neutral
Formula: C10H10O4S2
SMILES:   S(=O)(=O)(C1C=CS(=O)(=O)C1)c1ccccc1
InChI:   InChI=1/C10H10O4S2/c11-15(12)7-6-10(8-15)16(13,14)9-4-2-1-3-5-9/h1-7,10H,8H2/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=43.9243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.318 g/mol  logS: -2.05815  SlogP: 0.771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118726  Sterimol/B1: 3.23836  Sterimol/B2: 3.63626  Sterimol/B3: 4.47354
  Sterimol/B4: 4.81561  Sterimol/L: 12.6922 
 
 Surface and Volume Properties
  Accessible surface: 413.318  Positive charged surface: 171.503  Negative charged surface: 241.815  Volume: 205.625
  Hydrophobic surface: 270.533  Hydrophilic surface: 142.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.