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ASINEX-ZINC00463948

 MMsINC code: MMs00135869
Type: Neutral
Formula: C14H20N2O3S
SMILES:   S(=O)(=O)(N(CC(=O)N1CCCCC1)C)c1ccccc1
InChI:   InChI=1/C14H20N2O3S/c1-15(12-14(17)16-10-6-3-7-11-16)20(18,19)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3

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Potential Energy
Epot(MMFF94)=39.9107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.391 g/mol  logS: -2.11917  SlogP: 1.3196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0731729  Sterimol/B1: 2.20191  Sterimol/B2: 2.70248  Sterimol/B3: 4.64958
  Sterimol/B4: 7.45829  Sterimol/L: 14.8968 
 
 Surface and Volume Properties
  Accessible surface: 520.001  Positive charged surface: 346.271  Negative charged surface: 173.73  Volume: 278.625
  Hydrophobic surface: 446.252  Hydrophilic surface: 73.749
 
 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.