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ASINEX-ZINC06680251

 MMsINC code: MMs00444094
Type: Neutral
Formula: C13H14N2O4S2
SMILES:   s1cc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(O)cc1
InChI:   InChI=1/C13H14N2O4S2/c1-15(2)21(18,19)11-7-12(20-8-11)13(17)14-9-3-5-10(16)6-4-9/h3-8,16H,1-2H3,(H,14,17)

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Potential Energy
Epot(MMFF94)=48.3557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.397 g/mol  logS: -2.71315  SlogP: 1.9563  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524997  Sterimol/B1: 2.59378  Sterimol/B2: 3.91683  Sterimol/B3: 4.49707
  Sterimol/B4: 4.56606  Sterimol/L: 17.1269 
 
 Surface and Volume Properties
  Accessible surface: 528.981  Positive charged surface: 297.737  Negative charged surface: 231.244  Volume: 275.875
  Hydrophobic surface: 380.742  Hydrophilic surface: 148.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.