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KEYORGANICS-ZINC01387527

 MMsINC code: MMs02097249
Type: Neutral
Formula: C14H18N2O4S2
SMILES:   s1cccc1CNS(=O)(=O)NCc1cc(OC)c(OC)cc1
InChI:   InChI=1/C14H18N2O4S2/c1-19-13-6-5-11(8-14(13)20-2)9-15-22(17,18)16-10-12-4-3-7-21-12/h3-8,15-16H,9-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=4.42659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.44 g/mol  logS: -2.53952  SlogP: 2.4223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0434142  Sterimol/B1: 2.02316  Sterimol/B2: 3.67406  Sterimol/B3: 3.69278
  Sterimol/B4: 7.80493  Sterimol/L: 17.7695 
 
 Surface and Volume Properties
  Accessible surface: 592.023  Positive charged surface: 364.375  Negative charged surface: 227.649  Volume: 300.375
  Hydrophobic surface: 460.869  Hydrophilic surface: 131.154
 
 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.