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ASINEX-ZINC00249405

 MMsINC code: MMs00099218
Type: Neutral
Formula: C12H13NO4S2
SMILES:   s1cccc1S(=O)(=O)Nc1cc(OC)cc(OC)c1
InChI:   InChI=1/C12H13NO4S2/c1-16-10-6-9(7-11(8-10)17-2)13-19(14,15)12-4-3-5-18-12/h3-8,13H,1-2H3

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Potential Energy
Epot(MMFF94)=58.9238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.371 g/mol  logS: -3.11249  SlogP: 2.5661  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.273874  Sterimol/B1: 2.48458  Sterimol/B2: 4.52672  Sterimol/B3: 4.5755
  Sterimol/B4: 6.98009  Sterimol/L: 12.0953 
 
 Surface and Volume Properties
  Accessible surface: 489.324  Positive charged surface: 288.693  Negative charged surface: 200.631  Volume: 252.75
  Hydrophobic surface: 387.888  Hydrophilic surface: 101.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.