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ASINEX-ZINC00800853

 MMsINC code: MMs00170111
Type: Neutral
Formula: C11H15NO2S2
SMILES:   S1CCN(S(=O)(=O)c2cc(C)c(cc2)C)C1
InChI:   InChI=1/C11H15NO2S2/c1-9-3-4-11(7-10(9)2)16(13,14)12-5-6-15-8-12/h3-4,7H,5-6,8H2,1-2H3

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Potential Energy
Epot(MMFF94)=26.4543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.378 g/mol  logS: -3.0925  SlogP: 1.99844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124091  Sterimol/B1: 3.39731  Sterimol/B2: 3.62253  Sterimol/B3: 4.76296
  Sterimol/B4: 5.08295  Sterimol/L: 12.7521 
 
 Surface and Volume Properties
  Accessible surface: 451.902  Positive charged surface: 258.954  Negative charged surface: 192.948  Volume: 232.375
  Hydrophobic surface: 338.594  Hydrophilic surface: 113.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.