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PUBCHEM-ZINC05828257

 MMsINC code: MMs03403802
Type: Neutral
Formula: C6H14O7
SMILES:   OC(CC(O)O)(CC(O)O)C(O)O
InChI:   InChI=1/C6H14O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,7-13H,1-2H2

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Potential Energy
Epot(MMFF94)=17.2249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.171 g/mol  logS: 1.78151  SlogP: -3.5702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251678  Sterimol/B1: 2.54653  Sterimol/B2: 2.88931  Sterimol/B3: 3.97217
  Sterimol/B4: 5.2016  Sterimol/L: 10.5476 
 
 Surface and Volume Properties
  Accessible surface: 363.692  Positive charged surface: 246.269  Negative charged surface: 117.423  Volume: 162.875
  Hydrophobic surface: 70.0744  Hydrophilic surface: 293.6176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.