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PUBCHEM-ZINC06655328

 MMsINC code: MMs03835061
Type: Neutral
Formula: C15H23NO4S
SMILES:   S(=O)(=O)(NCCC(OC)=O)c1ccc(cc1)C(CC)(C)C
InChI:   InChI=1/C15H23NO4S/c1-5-15(2,3)12-6-8-13(9-7-12)21(18,19)16-11-10-14(17)20-4/h6-9,16H,5,10-11H2,1-4H3

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Potential Energy
Epot(MMFF94)=37.9179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.418 g/mol  logS: -4.04775  SlogP: 2.2156  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0737888  Sterimol/B1: 2.6537  Sterimol/B2: 3.43116  Sterimol/B3: 4.39499
  Sterimol/B4: 8.18394  Sterimol/L: 16.1855 
 
 Surface and Volume Properties
  Accessible surface: 568.406  Positive charged surface: 365.878  Negative charged surface: 202.528  Volume: 295.75
  Hydrophobic surface: 385.721  Hydrophilic surface: 182.685
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.