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PUBCHEM-ZINC06176008

 MMsINC code: MMs03582115
Type: Neutral
Formula: C13H18N2O4S
SMILES:   S(=O)(=O)(NC(C(=O)N1CCOCC1)C)c1ccccc1
InChI:   InChI=1/C13H18N2O4S/c1-11(13(16)15-7-9-19-10-8-15)14-20(17,18)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=51.1586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.363 g/mol  logS: -1.90813  SlogP: 0.2122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949919  Sterimol/B1: 2.39965  Sterimol/B2: 4.18033  Sterimol/B3: 4.91735
  Sterimol/B4: 5.37522  Sterimol/L: 14.4703 
 
 Surface and Volume Properties
  Accessible surface: 496.015  Positive charged surface: 310.055  Negative charged surface: 185.96  Volume: 265.75
  Hydrophobic surface: 358.855  Hydrophilic surface: 137.16
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.