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PUBCHEM-ZINC06761082

 MMsINC code: MMs03854380
Type: Neutral
Formula: C8H14O8
SMILES:   O1C(C(O)CO)C(O)C(O)CC1(O)C(O)=O
InChI:   InChI=1/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5+,6+,8+/m1/s1

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Potential Energy
Epot(MMFF94)=80.1042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.192 g/mol  logS: 0.87711  SlogP: -3.3765  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232636  Sterimol/B1: 2.93432  Sterimol/B2: 3.66874  Sterimol/B3: 3.82255
  Sterimol/B4: 4.95404  Sterimol/L: 10.9888 
 
 Surface and Volume Properties
  Accessible surface: 400.565  Positive charged surface: 289.04  Negative charged surface: 111.525  Volume: 190.75
  Hydrophobic surface: 122.443  Hydrophilic surface: 278.122
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03854381
PUBCHEM-ZINC06761082