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KEYORGANICS-ZINC01396696

 MMsINC code: MMs02103578
Type: Neutral
Formula: C15H16O4S2
SMILES:   S(=O)(=O)(CCCS(=O)(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C15H16O4S2/c16-20(17,14-8-3-1-4-9-14)12-7-13-21(18,19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2

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Potential Energy
Epot(MMFF94)=51.4687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.421 g/mol  logS: -3.66237  SlogP: 2.3243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0836158  Sterimol/B1: 2.18584  Sterimol/B2: 3.6149  Sterimol/B3: 3.66169
  Sterimol/B4: 5.45487  Sterimol/L: 16.9829 
 
 Surface and Volume Properties
  Accessible surface: 548.801  Positive charged surface: 260.612  Negative charged surface: 288.189  Volume: 283.625
  Hydrophobic surface: 438.219  Hydrophilic surface: 110.582
 
 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.