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ENAMINE-ZINC00612818

 MMsINC code: MMs01233902
Type: Neutral
Formula: C13H11FN2O2S2
SMILES:   S(=O)(=O)(NC(=S)Nc1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C13H11FN2O2S2/c14-10-6-8-12(9-7-10)20(17,18)16-13(19)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,19)

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Potential Energy
Epot(MMFF94)=85.6663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.373 g/mol  logS: -4.80519  SlogP: 2.501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139409  Sterimol/B1: 3.50421  Sterimol/B2: 3.97514  Sterimol/B3: 4.01152
  Sterimol/B4: 5.86952  Sterimol/L: 13.5895 
 
 Surface and Volume Properties
  Accessible surface: 486.37  Positive charged surface: 227.973  Negative charged surface: 258.397  Volume: 253.5
  Hydrophobic surface: 353.056  Hydrophilic surface: 133.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.