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PUBCHEM-ZINC03100553

 MMsINC code: MMs02993688
Type: Neutral
Formula: C9H9FN2O2S2
SMILES:   S1CCN=C1NS(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C9H9FN2O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-4H,5-6H2,(H,11,12)

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Potential Energy
Epot(MMFF94)=-11.8755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.313 g/mol  logS: -3.39649  SlogP: 1.2068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136703  Sterimol/B1: 2.68306  Sterimol/B2: 3.94533  Sterimol/B3: 4.80576
  Sterimol/B4: 5.18916  Sterimol/L: 11.8173 
 
 Surface and Volume Properties
  Accessible surface: 415.88  Positive charged surface: 212.685  Negative charged surface: 203.195  Volume: 203.625
  Hydrophobic surface: 272.306  Hydrophilic surface: 143.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.