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PUBCHEM-ZINC05858916

 MMsINC code: MMs03421301
Type: Neutral
Formula: C7H16O2
SMILES:   O(CCCOCC)CC
InChI:   InChI=1/C7H16O2/c1-3-8-6-5-7-9-4-2/h3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.96683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.203 g/mol  logS: -0.73201  SlogP: 1.4495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362458  Sterimol/B1: 2.11244  Sterimol/B2: 2.37515  Sterimol/B3: 2.37541
  Sterimol/B4: 3.18907  Sterimol/L: 14.4837 
 
 Surface and Volume Properties
  Accessible surface: 385.499  Positive charged surface: 319.013  Negative charged surface: 66.4858  Volume: 156.875
  Hydrophobic surface: 324.832  Hydrophilic surface: 60.667
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.