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PUBCHEM-ZINC06116579

 MMsINC code: MMs03545554
Type: Neutral
Formula: C12H10O3S2
SMILES:   S(S(=O)c1ccccc1)(=O)(=O)c1ccccc1
InChI:   InChI=1/C12H10O3S2/c13-16(11-7-3-1-4-8-11)17(14,15)12-9-5-2-6-10-12/h1-10H/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=79.4783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.341 g/mol  logS: -3.722  SlogP: 2.1831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625042  Sterimol/B1: 3.38619  Sterimol/B2: 3.39445  Sterimol/B3: 3.71763
  Sterimol/B4: 3.96031  Sterimol/L: 14.8224 
 
 Surface and Volume Properties
  Accessible surface: 454.429  Positive charged surface: 206.108  Negative charged surface: 248.321  Volume: 224.875
  Hydrophobic surface: 363.499  Hydrophilic surface: 90.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.