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ASINEX-ZINC06681608

 MMsINC code: MMs00445076
Type: Neutral
Formula: C13H14N2O3S2
SMILES:   s1cc(S(=O)(=O)Nc2ccccc2)cc1C(=O)NCC
InChI:   InChI=1/C13H14N2O3S2/c1-2-14-13(16)12-8-11(9-19-12)20(17,18)15-10-6-4-3-5-7-10/h3-9,15H,2H2,1H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=25.0737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.398 g/mol  logS: -3.32673  SlogP: 2.2986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0941873  Sterimol/B1: 3.3143  Sterimol/B2: 4.13998  Sterimol/B3: 4.79787
  Sterimol/B4: 5.98388  Sterimol/L: 14.1311 
 
 Surface and Volume Properties
  Accessible surface: 524.108  Positive charged surface: 276.021  Negative charged surface: 248.087  Volume: 270.125
  Hydrophobic surface: 372.204  Hydrophilic surface: 151.904
 
 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.