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ASINEX-ZINC00288084

 MMsINC code: MMs00109635
Type: Neutral
Formula: C11H17NO2S
SMILES:   S(=O)(=O)(NC(CCC)C)c1ccccc1
InChI:   InChI=1/C11H17NO2S/c1-3-7-10(2)12-15(13,14)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=2.608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.328 g/mol  logS: -2.59427  SlogP: 2.1535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.249202  Sterimol/B1: 2.2895  Sterimol/B2: 4.05622  Sterimol/B3: 4.3396
  Sterimol/B4: 7.81355  Sterimol/L: 10.651 
 
 Surface and Volume Properties
  Accessible surface: 433.414  Positive charged surface: 261.805  Negative charged surface: 171.609  Volume: 222.75
  Hydrophobic surface: 314.825  Hydrophilic surface: 118.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.