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PUBCHEM-ZINC05161377

 MMsINC code: MMs03216825
Type: Neutral
Formula: C8H16O5
SMILES:   O(C(=O)C)CCOCCOCCO
InChI:   InChI=1/C8H16O5/c1-8(10)13-7-6-12-5-4-11-3-2-9/h9H,2-7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.8767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.211 g/mol  logS: -0.08881  SlogP: -0.425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119957  Sterimol/B1: 2.16803  Sterimol/B2: 2.61918  Sterimol/B3: 4.27121
  Sterimol/B4: 5.62806  Sterimol/L: 13.3639 
 
 Surface and Volume Properties
  Accessible surface: 461.925  Positive charged surface: 374.657  Negative charged surface: 87.2679  Volume: 188.75
  Hydrophobic surface: 355.297  Hydrophilic surface: 106.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.