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ACROSORGANICS-ZINC00165307

 MMsINC code: MMs00006347
Type: Neutral
Formula: C7H8O2S
SMILES:   S(=O)(=O)(C)c1ccccc1
InChI:   InChI=1/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.7721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.205 g/mol  logS: -1.52557  SlogP: 1.0901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127841  Sterimol/B1: 2.04794  Sterimol/B2: 3.61679  Sterimol/B3: 3.61914
  Sterimol/B4: 4.08592  Sterimol/L: 10.3496 
 
 Surface and Volume Properties
  Accessible surface: 316.162  Positive charged surface: 154.457  Negative charged surface: 161.705  Volume: 140.25
  Hydrophobic surface: 249.219  Hydrophilic surface: 66.943
 
 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.