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PUBCHEM-ZINC03121803

 MMsINC code: MMs02996550
Type: Neutral
Formula: C13H28O5
SMILES:   O(C(OCC)(COCC(OCC)OCC)C)CC
InChI:   InChI=1/C13H28O5/c1-6-15-12(16-7-2)10-14-11-13(5,17-8-3)18-9-4/h12H,6-11H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.362 g/mol  logS: -1.87648  SlogP: 2.1913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0986634  Sterimol/B1: 2.65624  Sterimol/B2: 2.76936  Sterimol/B3: 4.53551
  Sterimol/B4: 7.87245  Sterimol/L: 14.9613 
 
 Surface and Volume Properties
  Accessible surface: 576.046  Positive charged surface: 450.661  Negative charged surface: 125.384  Volume: 285.25
  Hydrophobic surface: 449.725  Hydrophilic surface: 126.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.