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ASINEX-ZINC00227071

 MMsINC code: MMs00094498
Type: Neutral
Formula: C14H15NO3S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C14H15NO3S/c16-19(17,15-7-9-18-10-8-15)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2

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Potential Energy
Epot(MMFF94)=57.0869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.344 g/mol  logS: -3.4678  SlogP: 1.8607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706023  Sterimol/B1: 2.34074  Sterimol/B2: 3.93268  Sterimol/B3: 4.5266
  Sterimol/B4: 4.73715  Sterimol/L: 13.9012 
 
 Surface and Volume Properties
  Accessible surface: 477.089  Positive charged surface: 286.487  Negative charged surface: 179.531  Volume: 248.625
  Hydrophobic surface: 411.122  Hydrophilic surface: 65.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.