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PUBCHEM-ZINC05795047

 MMsINC code: MMs03389503
Type: Neutral
Formula: C11H15NO2S
SMILES:   S(=O)(=O)(N(CC=C)CC)c1ccccc1
InChI:   InChI=1/C11H15NO2S/c1-3-10-12(4-2)15(13,14)11-8-6-5-7-9-11/h3,5-9H,1,4,10H2,2H3

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Potential Energy
Epot(MMFF94)=17.4689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.312 g/mol  logS: -2.12188  SlogP: 1.8832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134722  Sterimol/B1: 2.45487  Sterimol/B2: 2.57141  Sterimol/B3: 5.13549
  Sterimol/B4: 6.6371  Sterimol/L: 12.6612 
 
 Surface and Volume Properties
  Accessible surface: 423.532  Positive charged surface: 237.917  Negative charged surface: 185.615  Volume: 219.75
  Hydrophobic surface: 303.43  Hydrophilic surface: 120.102
 
 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.