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NCID-ZINC04353166

 MMsINC code: MMs02383592
Type: Neutral
Formula: C8H16O8
SMILES:   OC(C(O)C(O)C(O)C=O)C(O)C(O)CO
InChI:   InChI=1/C8H16O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h1,3-8,10-16H,2H2/t3-,4+,5-,6+,7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=111.004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.208 g/mol  logS: 1.79469  SlogP: -4.657  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0584825  Sterimol/B1: 2.71548  Sterimol/B2: 3.15696  Sterimol/B3: 3.20009
  Sterimol/B4: 3.77267  Sterimol/L: 14.594 
 
 Surface and Volume Properties
  Accessible surface: 414.977  Positive charged surface: 289.081  Negative charged surface: 125.896  Volume: 201.125
  Hydrophobic surface: 128.368  Hydrophilic surface: 286.609
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.