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PUBCHEM-ZINC05415863

 MMsINC code: MMs03261916
Type: Neutral
Formula: C11H17NO4S
SMILES:   S(=O)(=O)(NCC(OC)OC)c1ccc(cc1)C
InChI:   InChI=1/C11H17NO4S/c1-9-4-6-10(7-5-9)17(13,14)12-8-11(15-2)16-3/h4-7,11-12H,8H2,1-3H3

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Potential Energy
Epot(MMFF94)=34.8136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.326 g/mol  logS: -1.86279  SlogP: 0.89222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0994953  Sterimol/B1: 2.94432  Sterimol/B2: 3.33241  Sterimol/B3: 4.23051
  Sterimol/B4: 6.02868  Sterimol/L: 14.7444 
 
 Surface and Volume Properties
  Accessible surface: 482.319  Positive charged surface: 326.244  Negative charged surface: 156.075  Volume: 237.625
  Hydrophobic surface: 390.057  Hydrophilic surface: 92.262
 
 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.