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PUBCHEM-ZINC05701061

 MMsINC code: MMs03353282
Type: Neutral
Formula: C6H14O3
SMILES:   O(C(COC)COC)C
InChI:   InChI=1/C6H14O3/c1-7-4-6(9-3)5-8-2/h6H,4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.5533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.175 g/mol  logS: -0.01846  SlogP: 0.2942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0667614  Sterimol/B1: 2.66782  Sterimol/B2: 2.6938  Sterimol/B3: 2.96578
  Sterimol/B4: 5.06357  Sterimol/L: 11.8954 
 
 Surface and Volume Properties
  Accessible surface: 355.14  Positive charged surface: 335.822  Negative charged surface: 19.3178  Volume: 144.875
  Hydrophobic surface: 335.542  Hydrophilic surface: 19.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.