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PUBCHEM-ZINC05997791

 MMsINC code: MMs03481815
Type: Neutral
Formula: C6H14O4
SMILES:   O(C(OC)(OC)COC)C
InChI:   InChI=1/C6H14O4/c1-7-5-6(8-2,9-3)10-4/h5H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.9098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.174 g/mol  logS: -0.27302  SlogP: 0.2258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.359174  Sterimol/B1: 2.55547  Sterimol/B2: 3.376  Sterimol/B3: 4.31335
  Sterimol/B4: 5.67425  Sterimol/L: 9.6989 
 
 Surface and Volume Properties
  Accessible surface: 351.76  Positive charged surface: 329.484  Negative charged surface: 22.2762  Volume: 152.25
  Hydrophobic surface: 329.484  Hydrophilic surface: 22.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.