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ACROSORGANICS-ZINC00163104

 MMsINC code: MMs00006052
Type: Neutral
Formula: C13H12O4S2
SMILES:   S(=O)(=O)(CS(=O)(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2

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Potential Energy
Epot(MMFF94)=31.1162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.367 g/mol  logS: -3.1661  SlogP: 1.8917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120219  Sterimol/B1: 3.33114  Sterimol/B2: 3.74293  Sterimol/B3: 4.13812
  Sterimol/B4: 5.62375  Sterimol/L: 13.7682 
 
 Surface and Volume Properties
  Accessible surface: 471.013  Positive charged surface: 223.568  Negative charged surface: 247.445  Volume: 247.875
  Hydrophobic surface: 373.519  Hydrophilic surface: 97.494
 
 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.