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AURORAFEINCHEMIE-ZINC02569185

 MMsINC code: MMs00454917
Type: Neutral
Formula: C7H15NO4S
SMILES:   S(O)(=O)(=O)C(N1CCOCC1)(C)C
InChI:   InChI=1/C7H15NO4S/c1-7(2,13(9,10)11)8-3-5-12-6-4-8/h3-6H2,1-2H3,(H,9,10,11)

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Potential Energy
Epot(MMFF94)=74.5012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.266 g/mol  logS: -0.51084  SlogP: -0.6232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243122  Sterimol/B1: 2.2832  Sterimol/B2: 3.25524  Sterimol/B3: 4.11215
  Sterimol/B4: 5.68427  Sterimol/L: 10.3522 
 
 Surface and Volume Properties
  Accessible surface: 364.493  Positive charged surface: 249.011  Negative charged surface: 115.482  Volume: 179.25
  Hydrophobic surface: 216.519  Hydrophilic surface: 147.974
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs00454918
AURORAFEINCHEMIE-ZINC02569185