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ASINEX-ZINC00898165

 MMsINC code: MMs00211817
Type: Neutral
Formula: C15H16N2O5S2
SMILES:   S(=O)(=O)(NC(=O)C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChI:   InChI=1/C15H16N2O5S2/c1-12(18)16-24(21,22)15-9-7-14(8-10-15)17-23(19,20)11-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=17.0232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.434 g/mol  logS: -3.4233  SlogP: 1.7197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628075  Sterimol/B1: 3.0773  Sterimol/B2: 3.57288  Sterimol/B3: 4.57644
  Sterimol/B4: 5.45355  Sterimol/L: 18.0245 
 
 Surface and Volume Properties
  Accessible surface: 582.654  Positive charged surface: 297.646  Negative charged surface: 285.008  Volume: 304.25
  Hydrophobic surface: 395.094  Hydrophilic surface: 187.56
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.