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CHEMSTAR-ZINC01499825

 MMsINC code: MMs01078699
Type: Neutral
Formula: C10H14O2S2
SMILES:   S(S)(=O)(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C10H14O2S2/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=46.7745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.352 g/mol  logS: -4.64553  SlogP: 2.6026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118641  Sterimol/B1: 2.40145  Sterimol/B2: 2.89555  Sterimol/B3: 4.34048
  Sterimol/B4: 4.83456  Sterimol/L: 12.5897 
 
 Surface and Volume Properties
  Accessible surface: 423.682  Positive charged surface: 205.37  Negative charged surface: 218.312  Volume: 208.375
  Hydrophobic surface: 251.832  Hydrophilic surface: 171.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.