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APOLLO-ZINC02243135

 MMsINC code: MMs00051110
Type: Neutral
Formula: C7H7FO2S
SMILES:   S(=O)(=O)(C)c1ccccc1F
InChI:   InChI=1/C7H7FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.2745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.195 g/mol  logS: -1.82055  SlogP: 1.2292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112576  Sterimol/B1: 2.41616  Sterimol/B2: 3.54283  Sterimol/B3: 4.03026
  Sterimol/B4: 4.40057  Sterimol/L: 10.3452 
 
 Surface and Volume Properties
  Accessible surface: 324.243  Positive charged surface: 144.464  Negative charged surface: 179.779  Volume: 141
  Hydrophobic surface: 258.689  Hydrophilic surface: 65.554
 
 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.