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PUBCHEM-ZINC06483306

 MMsINC code: MMs03759682
Type: Neutral
Formula: C8H14O7
SMILES:   O1C(C(O)=O)C(O)C(OC)C(OC)C1O
InChI:   InChI=1/C8H14O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-6,8-9,12H,1-2H3,(H,10,11)/t3-,4-,5+,6+,8+/m0/s1

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Potential Energy
Epot(MMFF94)=73.358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.193 g/mol  logS: 0.36121  SlogP: -1.8209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.338996  Sterimol/B1: 2.16662  Sterimol/B2: 3.42956  Sterimol/B3: 4.60486
  Sterimol/B4: 7.83236  Sterimol/L: 10.8464 
 
 Surface and Volume Properties
  Accessible surface: 400.049  Positive charged surface: 320.872  Negative charged surface: 79.1764  Volume: 190
  Hydrophobic surface: 223.719  Hydrophilic surface: 176.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs03759683
PUBCHEM-ZINC06483306