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ENAMINE-ZINC03267658

 MMsINC code: MMs01340449
Type: Neutral
Formula: C18H16N2O4S2
SMILES:   S(=O)(=O)(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2)ccc1
InChI:   InChI=1/C18H16N2O4S2/c21-25(22,19-15-8-3-1-4-9-15)17-12-7-13-18(14-17)26(23,24)20-16-10-5-2-6-11-16/h1-14,19-20H

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Potential Energy
Epot(MMFF94)=48.8763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.468 g/mol  logS: -4.70856  SlogP: 3.2882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130414  Sterimol/B1: 2.45953  Sterimol/B2: 3.71426  Sterimol/B3: 5.40399
  Sterimol/B4: 6.17111  Sterimol/L: 15.2825 
 
 Surface and Volume Properties
  Accessible surface: 589.082  Positive charged surface: 295.122  Negative charged surface: 293.959  Volume: 332.375
  Hydrophobic surface: 427.299  Hydrophilic surface: 161.783
 
 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.