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ACROSORGANICS-ZINC00406916

 MMsINC code: MMs00007813
Type: Neutral
Formula: C7H7FO2S
SMILES:   S(=O)(=O)(C)c1ccc(F)cc1
InChI:   InChI=1/C7H7FO2S/c1-11(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)=27.1342 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: 0.125594  Sterimol/B1: 2.0464  Sterimol/B2: 3.61868  Sterimol/B3: 3.62021
  Sterimol/B4: 4.08889  Sterimol/L: 10.6249 
 
 Surface and Volume Properties
  Accessible surface: 322.952  Positive charged surface: 142.959  Negative charged surface: 179.994  Volume: 143.5
  Hydrophobic surface: 256.01  Hydrophilic surface: 66.942
 
 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.