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PUBCHEM-ZINC05820185

 MMsINC code: MMs03399212
Type: Neutral
Formula: C11H24O4S
SMILES:   S(OC(CCCCC)CCCCC)(O)(=O)=O
InChI:   InChI=1/C11H24O4S/c1-3-5-7-9-11(10-8-6-4-2)15-16(12,13)14/h11H,3-10H2,1-2H3,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=-8.86178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.375 g/mol  logS: -4.01493  SlogP: 2.7693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354221  Sterimol/B1: 2.46059  Sterimol/B2: 2.72775  Sterimol/B3: 3.32723
  Sterimol/B4: 5.99814  Sterimol/L: 17.2277 
 
 Surface and Volume Properties
  Accessible surface: 512.942  Positive charged surface: 363.772  Negative charged surface: 149.171  Volume: 248.125
  Hydrophobic surface: 354.576  Hydrophilic surface: 158.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03399213
PUBCHEM-ZINC05820185