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PUBCHEM-ZINC05113663

 MMsINC code: MMs03201851
Type: Neutral
Formula: C8H18O6
SMILES:   O(CCOCCOCO)CCOCO
InChI:   InChI=1/C8H18O6/c9-7-13-5-3-11-1-2-12-4-6-14-8-10/h9-10H,1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.66 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.226 g/mol  logS: 0.83298  SlogP: -1.0476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116239  Sterimol/B1: 2.39663  Sterimol/B2: 3.20312  Sterimol/B3: 4.23287
  Sterimol/B4: 6.63494  Sterimol/L: 13.6808 
 
 Surface and Volume Properties
  Accessible surface: 488.506  Positive charged surface: 425.975  Negative charged surface: 62.5314  Volume: 202.75
  Hydrophobic surface: 323.161  Hydrophilic surface: 165.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.