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PUBCHEM-ZINC00390908

 MMsINC code: MMs02671813
Type: Neutral
Formula: C6H12O4
SMILES:   O1CCOC(OC)C1OC
InChI:   InChI=1/C6H12O4/c1-7-5-6(8-2)10-4-3-9-5/h5-6H,3-4H2,1-2H3/t5-,6+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.2137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.158 g/mol  logS: -0.0714  SlogP: -0.0218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134053  Sterimol/B1: 2.26027  Sterimol/B2: 2.41755  Sterimol/B3: 3.25881
  Sterimol/B4: 6.02073  Sterimol/L: 9.63065 
 
 Surface and Volume Properties
  Accessible surface: 338.087  Positive charged surface: 304.823  Negative charged surface: 33.2643  Volume: 142.25
  Hydrophobic surface: 300.716  Hydrophilic surface: 37.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.