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PUBCHEM-ZINC06019787

 MMsINC code: MMs03495004
Type: Neutral
Formula: C7H7FO2S2
SMILES:   S(SC)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C7H7FO2S2/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.0777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.261 g/mol  logS: -2.92435  SlogP: 1.8774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13626  Sterimol/B1: 2.31412  Sterimol/B2: 3.21281  Sterimol/B3: 4.37604
  Sterimol/B4: 5.20941  Sterimol/L: 10.4807 
 
 Surface and Volume Properties
  Accessible surface: 355.994  Positive charged surface: 134.39  Negative charged surface: 221.604  Volume: 163.375
  Hydrophobic surface: 251.702  Hydrophilic surface: 104.292
 
 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.