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PUBCHEM-ZINC06443096

 MMsINC code: MMs03733244
Type: Neutral
Formula: C7H15NO4S
SMILES:   S(O)(=O)(=O)CC(N1CCOCC1)C
InChI:   InChI=1/C7H15NO4S/c1-7(6-13(9,10)11)8-2-4-12-5-3-8/h7H,2-6H2,1H3,(H,9,10,11)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=40.5792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.266 g/mol  logS: -0.12767  SlogP: -0.9708  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243234  Sterimol/B1: 2.17702  Sterimol/B2: 3.32084  Sterimol/B3: 3.37036
  Sterimol/B4: 6.06267  Sterimol/L: 10.2241 
 
 Surface and Volume Properties
  Accessible surface: 366.065  Positive charged surface: 261.909  Negative charged surface: 104.156  Volume: 179.375
  Hydrophobic surface: 236.852  Hydrophilic surface: 129.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.