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PUBCHEM-ZINC05260109

 MMsINC code: MMs03228577
Type: Neutral
Formula: C14H15NO2S
SMILES:   S(=O)(=O)(Nc1cc(cc(c1)C)C)c1ccccc1
InChI:   InChI=1/C14H15NO2S/c1-11-8-12(2)10-13(9-11)15-18(16,17)14-6-4-3-5-7-14/h3-10,15H,1-2H3

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Potential Energy
Epot(MMFF94)=37.8405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.345 g/mol  logS: -3.99456  SlogP: 3.10424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.306586  Sterimol/B1: 2.25865  Sterimol/B2: 3.63853  Sterimol/B3: 5.50678
  Sterimol/B4: 7.18849  Sterimol/L: 11.4756 
 
 Surface and Volume Properties
  Accessible surface: 473.468  Positive charged surface: 260.095  Negative charged surface: 213.374  Volume: 248.5
  Hydrophobic surface: 392.826  Hydrophilic surface: 80.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.