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ASINEX-ZINC06681579

 MMsINC code: MMs00445043
Type: Neutral
Formula: C11H16N2O3S2
SMILES:   s1cc(S(=O)(=O)NC2CCCC2)cc1C(=O)NC
InChI:   InChI=1/C11H16N2O3S2/c1-12-11(14)10-6-9(7-17-10)18(15,16)13-8-4-2-3-5-8/h6-8,13H,2-5H2,1H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=5.64662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.392 g/mol  logS: -2.13158  SlogP: 1.3286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773267  Sterimol/B1: 2.97099  Sterimol/B2: 3.62299  Sterimol/B3: 4.08044
  Sterimol/B4: 5.65716  Sterimol/L: 15.5725 
 
 Surface and Volume Properties
  Accessible surface: 498.24  Positive charged surface: 304.015  Negative charged surface: 194.224  Volume: 247.375
  Hydrophobic surface: 367.327  Hydrophilic surface: 130.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.