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PUBCHEM-ZINC01016953

 MMsINC code: MMs02757635
Type: Neutral
Formula: C10H15NO2S
SMILES:   S(=O)(=O)(NC(CC)C)c1ccccc1
InChI:   InChI=1/C10H15NO2S/c1-3-9(2)11-14(12,13)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=4.47345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.301 g/mol  logS: -2.07905  SlogP: 1.7634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150272  Sterimol/B1: 3.2612  Sterimol/B2: 4.02586  Sterimol/B3: 4.16552
  Sterimol/B4: 4.50391  Sterimol/L: 12.7033 
 
 Surface and Volume Properties
  Accessible surface: 409.689  Positive charged surface: 235.172  Negative charged surface: 174.516  Volume: 204.25
  Hydrophobic surface: 298.733  Hydrophilic surface: 110.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.