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ASINEX-ZINC04962227

 MMsINC code: MMs00413783
Type: Neutral
Formula: C13H11O4S2-
SMILES:   S(=O)(=O)([CH]=S(=O)([O-])c1ccccc1)c1ccccc1
InChI:   InChI=1/C13H11O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-11H/q-1

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Potential Energy
Epot(MMFF94)=15.6263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.359 g/mol  logS: -3.32287  SlogP: 2.05349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121702  Sterimol/B1: 2.18601  Sterimol/B2: 3.61685  Sterimol/B3: 3.63971
  Sterimol/B4: 5.43934  Sterimol/L: 14.4844 
 
 Surface and Volume Properties
  Accessible surface: 486.936  Positive charged surface: 192.314  Negative charged surface: 294.622  Volume: 245.75
  Hydrophobic surface: 371.936  Hydrophilic surface: 115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 5  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.