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PUBCHEM-ZINC05510897

 MMsINC code: MMs03292034
Type: Neutral
Formula: C8H14O6
SMILES:   O(CC(OC)=O)CCOCC(OC)=O
InChI:   InChI=1/C8H14O6/c1-11-7(9)5-13-3-4-14-6-8(10)12-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.2666 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.194 g/mol  logS: -0.69216  SlogP: -0.6344  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0391748  Sterimol/B1: 2.35305  Sterimol/B2: 2.85202  Sterimol/B3: 3.24323
  Sterimol/B4: 6.34838  Sterimol/L: 15.5457 
 
 Surface and Volume Properties
  Accessible surface: 462.799  Positive charged surface: 381.91  Negative charged surface: 80.8887  Volume: 190.5
  Hydrophobic surface: 352.904  Hydrophilic surface: 109.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.