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CHEMSTAR-ZINC02635291

 MMsINC code: MMs01081761
Type: Neutral
Formula: C12H18N2O4S
SMILES:   S(=O)(=O)(NCCCOC)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C12H18N2O4S/c1-10(15)14-11-4-6-12(7-5-11)19(16,17)13-8-3-9-18-2/h4-7,13H,3,8-9H2,1-2H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=25.7774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.352 g/mol  logS: -1.77672  SlogP: 0.9598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534861  Sterimol/B1: 2.75482  Sterimol/B2: 2.8387  Sterimol/B3: 4.05407
  Sterimol/B4: 7.27564  Sterimol/L: 17.2997 
 
 Surface and Volume Properties
  Accessible surface: 536.055  Positive charged surface: 356.677  Negative charged surface: 179.378  Volume: 258.875
  Hydrophobic surface: 391.557  Hydrophilic surface: 144.498
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.