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PUBCHEM-ZINC05157958

 MMsINC code: MMs03214293
Type: Neutral
Formula: C8H7FO2S2
SMILES:   S(SC=C)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C8H7FO2S2/c1-2-12-13(10,11)8-5-3-7(9)4-6-8/h2-6H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.0734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.272 g/mol  logS: -3.18733  SlogP: 2.3911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148277  Sterimol/B1: 2.30845  Sterimol/B2: 3.17656  Sterimol/B3: 4.75496
  Sterimol/B4: 5.56144  Sterimol/L: 11.2552 
 
 Surface and Volume Properties
  Accessible surface: 374.082  Positive charged surface: 133.485  Negative charged surface: 240.597  Volume: 175.625
  Hydrophobic surface: 236.476  Hydrophilic surface: 137.606
 
 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.