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CHEMDIV-ZINC04968812

 MMsINC code: MMs00974867
Type: Neutral
Formula: C13H16N2O4S
SMILES:   S(=O)(=O)(NCc1cc(OC)ccc1)c1c(noc1C)C
InChI:   InChI=1/C13H16N2O4S/c1-9-13(10(2)19-15-9)20(16,17)14-8-11-5-4-6-12(7-11)18-3/h4-7,14H,8H2,1-3H3

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Potential Energy
Epot(MMFF94)=37.8065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.347 g/mol  logS: -2.31427  SlogP: 2.04494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0910363  Sterimol/B1: 2.2217  Sterimol/B2: 3.75222  Sterimol/B3: 4.17407
  Sterimol/B4: 7.00426  Sterimol/L: 15.0497 
 
 Surface and Volume Properties
  Accessible surface: 508.46  Positive charged surface: 290.528  Negative charged surface: 217.932  Volume: 261.375
  Hydrophobic surface: 400.866  Hydrophilic surface: 107.594
 
 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.