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PUBCHEM-ZINC05650744

 MMsINC code: MMs03337064
Type: Neutral
Formula: C12H26O5
SMILES:   O(CCOCCOCC)CCOCCOCC
InChI:   InChI=1/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.15 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.335 g/mol  logS: -0.95816  SlogP: 1.1092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0896346  Sterimol/B1: 2.87823  Sterimol/B2: 3.67194  Sterimol/B3: 3.99575
  Sterimol/B4: 5.20084  Sterimol/L: 18.5918 
 
 Surface and Volume Properties
  Accessible surface: 616.266  Positive charged surface: 546.756  Negative charged surface: 69.51  Volume: 268.125
  Hydrophobic surface: 546.756  Hydrophilic surface: 69.51
 
 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.