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PUBCHEM-ZINC05157145

 MMsINC code: MMs03213597
Type: Neutral
Formula: C5H8O4
SMILES:   O1C2COC1C(O)C2O
InChI:   InChI=1/C5H8O4/c6-3-2-1-8-5(9-2)4(3)7/h2-7H,1H2/t2-,3+,4-,5-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.5029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.115 g/mol  logS: 0.35085  SlogP: -1.5367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.329546  Sterimol/B1: 2.32365  Sterimol/B2: 3.25472  Sterimol/B3: 3.57794
  Sterimol/B4: 4.34882  Sterimol/L: 8.44884 
 
 Surface and Volume Properties
  Accessible surface: 275.794  Positive charged surface: 209.941  Negative charged surface: 65.8529  Volume: 110.25
  Hydrophobic surface: 126.986  Hydrophilic surface: 148.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.