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MAYBRIDGE-ZINC02147948

 MMsINC code: MMs02158580
Type: Neutral
Formula: C8H8F2O5S2
SMILES:   S(=O)(=O)(CS(Oc1ccc(F)cc1F)(=O)=O)C
InChI:   InChI=1/C8H8F2O5S2/c1-16(11,12)5-17(13,14)15-8-3-2-6(9)4-7(8)10/h2-4H,5H2,1H3

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Potential Energy
Epot(MMFF94)=22.9855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.275 g/mol  logS: -2.06498  SlogP: 0.6755  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.213996  Sterimol/B1: 2.10973  Sterimol/B2: 3.88017  Sterimol/B3: 3.97786
  Sterimol/B4: 5.14786  Sterimol/L: 11.6923 
 
 Surface and Volume Properties
  Accessible surface: 410.008  Positive charged surface: 159.271  Negative charged surface: 250.737  Volume: 199.375
  Hydrophobic surface: 279.337  Hydrophilic surface: 130.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.