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ASINEX-ZINC06680266

 MMsINC code: MMs00444105
Type: Neutral
Formula: C13H13NO4S2
SMILES:   s1cc(S(=O)(=O)N(C)C)cc1C(Oc1ccccc1)=O
InChI:   InChI=1/C13H13NO4S2/c1-14(2)20(16,17)11-8-12(19-9-11)13(15)18-10-6-4-3-5-7-10/h3-9H,1-2H3

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Potential Energy
Epot(MMFF94)=53.2086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.382 g/mol  logS: -3.21917  SlogP: 2.2176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0707081  Sterimol/B1: 2.65186  Sterimol/B2: 3.67597  Sterimol/B3: 4.4997
  Sterimol/B4: 5.048  Sterimol/L: 16.1571 
 
 Surface and Volume Properties
  Accessible surface: 523.528  Positive charged surface: 282.527  Negative charged surface: 241.001  Volume: 265.625
  Hydrophobic surface: 432.66  Hydrophilic surface: 90.868
 
 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.