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PUBCHEM-ZINC04831689

 MMsINC code: MMs03177375
Type: Neutral
Formula: C11H25NO4S
SMILES:   S(O)(=O)(=O)CC(O)CN(CCCC)CCCC
InChI:   InChI=1/C11H25NO4S/c1-3-5-7-12(8-6-4-2)9-11(13)10-17(14,15)16/h11,13H,3-10H2,1-2H3,(H,14,15,16)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=24.0526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.39 g/mol  logS: -1.39484  SlogP: 0.5716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.084455  Sterimol/B1: 2.42711  Sterimol/B2: 2.43069  Sterimol/B3: 3.48163
  Sterimol/B4: 8.45662  Sterimol/L: 15.6352 
 
 Surface and Volume Properties
  Accessible surface: 529.59  Positive charged surface: 358.723  Negative charged surface: 170.867  Volume: 260.625
  Hydrophobic surface: 328.683  Hydrophilic surface: 200.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.