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PUBCHEM-ZINC03650222

 MMsINC code: MMs03033762
Type: Neutral
Formula: C8H16O6
SMILES:   O(C(C(O)C(O)COC)C(O)C=O)C
InChI:   InChI=1/C8H16O6/c1-13-4-6(11)7(12)8(14-2)5(10)3-9/h3,5-8,10-12H,4H2,1-2H3/t5-,6+,7+,8+/m0/s1

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Potential Energy
Epot(MMFF94)=80.3006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.21 g/mol  logS: 0.69925  SlogP: -2.0706  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.108532  Sterimol/B1: 2.8026  Sterimol/B2: 3.65919  Sterimol/B3: 3.82551
  Sterimol/B4: 4.02311  Sterimol/L: 13.2643 
 
 Surface and Volume Properties
  Accessible surface: 406.154  Positive charged surface: 323.09  Negative charged surface: 83.0635  Volume: 189.125
  Hydrophobic surface: 248.811  Hydrophilic surface: 157.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.