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PUBCHEM-ZINC00001468

 MMsINC code: MMs02625402
Type: Neutral
Formula: C8H9FO2S
SMILES:   S(=O)(=O)(CC)c1ccc(F)cc1
InChI:   InChI=1/C8H9FO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.6294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.222 g/mol  logS: -2.14776  SlogP: 1.6193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0897856  Sterimol/B1: 2.42451  Sterimol/B2: 3.61938  Sterimol/B3: 3.61951
  Sterimol/B4: 3.76155  Sterimol/L: 11.6054 
 
 Surface and Volume Properties
  Accessible surface: 350.002  Positive charged surface: 171.215  Negative charged surface: 178.787  Volume: 161.625
  Hydrophobic surface: 270.499  Hydrophilic surface: 79.503
 
 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.