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ACROSORGANICS-ZINC02166861

 MMsINC code: MMs00013022
Type: Neutral
Formula: C14H14O5S2
SMILES:   S(OS(=O)(=O)c1ccc(cc1)C)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C14H14O5S2/c1-11-3-7-13(8-4-11)20(15,16)19-21(17,18)14-9-5-12(2)6-10-14/h3-10H,1-2H3

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Potential Energy
Epot(MMFF94)=66.8039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.393 g/mol  logS: -4.77492  SlogP: 2.39764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575504  Sterimol/B1: 2.59971  Sterimol/B2: 3.55795  Sterimol/B3: 4.51195
  Sterimol/B4: 4.94892  Sterimol/L: 16.0983 
 
 Surface and Volume Properties
  Accessible surface: 510.621  Positive charged surface: 234.31  Negative charged surface: 276.311  Volume: 266.625
  Hydrophobic surface: 401.801  Hydrophilic surface: 108.82
 
 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.