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ASINEX-ZINC00284037

 MMsINC code: MMs00108205
Type: Neutral
Formula: C11H17NO3S
SMILES:   S(=O)(=O)(NC(COC)(C)C)c1ccccc1
InChI:   InChI=1/C11H17NO3S/c1-11(2,9-15-3)12-16(13,14)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3

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Potential Energy
Epot(MMFF94)=45.5071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.327 g/mol  logS: -2.01992  SlogP: 1.3899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187475  Sterimol/B1: 2.85385  Sterimol/B2: 2.91936  Sterimol/B3: 4.84842
  Sterimol/B4: 5.24012  Sterimol/L: 12.7276 
 
 Surface and Volume Properties
  Accessible surface: 439.085  Positive charged surface: 289.184  Negative charged surface: 149.901  Volume: 226.375
  Hydrophobic surface: 338.129  Hydrophilic surface: 100.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.