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PUBCHEM-ZINC05761699

 MMsINC code: MMs03375013
Type: Neutral
Formula: C8H14O5
SMILES:   O(C(=O)CC(O)(CC(OC)=O)C)C
InChI:   InChI=1/C8H14O5/c1-8(11,4-6(9)12-2)5-7(10)13-3/h11H,4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.2271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.195 g/mol  logS: -0.29539  SlogP: -0.1364  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0825342  Sterimol/B1: 2.35253  Sterimol/B2: 3.00451  Sterimol/B3: 3.47699
  Sterimol/B4: 6.09185  Sterimol/L: 12.8975 
 
 Surface and Volume Properties
  Accessible surface: 395.761  Positive charged surface: 311.295  Negative charged surface: 84.4657  Volume: 178.125
  Hydrophobic surface: 290.316  Hydrophilic surface: 105.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.