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PUBCHEM-ZINC05604534

 MMsINC code: MMs03322089
Type: Neutral
Formula: C16H19NO4S
SMILES:   S(=O)(=O)(N(CCO)CCO)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C16H19NO4S/c18-12-10-17(11-13-19)22(20,21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,18-19H,10-13H2

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Potential Energy
Epot(MMFF94)=72.3933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.397 g/mol  logS: -3.31974  SlogP: 1.3289  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0783098  Sterimol/B1: 3.53916  Sterimol/B2: 3.75642  Sterimol/B3: 4.70101
  Sterimol/B4: 4.97635  Sterimol/L: 16.8818 
 
 Surface and Volume Properties
  Accessible surface: 541.474  Positive charged surface: 323.214  Negative charged surface: 207.189  Volume: 297.625
  Hydrophobic surface: 406.734  Hydrophilic surface: 134.74
 
 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.