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PUBCHEM-ZINC06020800

 MMsINC code: MMs03495981
Type: Neutral
Formula: C11H24O5
SMILES:   O(C(CO)C)CC(OCCOCCOC)C
InChI:   InChI=1/C11H24O5/c1-10(8-12)16-9-11(2)15-7-6-14-5-4-13-3/h10-12H,4-9H2,1-3H3/t10-,11+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.8069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.308 g/mol  logS: -0.61298  SlogP: 0.4519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122156  Sterimol/B1: 2.43471  Sterimol/B2: 3.41785  Sterimol/B3: 4.17996
  Sterimol/B4: 7.63441  Sterimol/L: 14.0146 
 
 Surface and Volume Properties
  Accessible surface: 545.861  Positive charged surface: 479.07  Negative charged surface: 66.7915  Volume: 250
  Hydrophobic surface: 444.841  Hydrophilic surface: 101.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.