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AURORAFEINCHEMIE-ZINC04027206

 MMsINC code: MMs00462073
Type: Neutral
Formula: C8H14O8
SMILES:   O1C(C(O)C(O)C(O)CO)C(O)C(O)C1=O
InChI:   InChI=1/C8H14O8/c9-1-2(10)3(11)4(12)7-5(13)6(14)8(15)16-7/h2-7,9-14H,1H2/t2-,3+,4-,5-,6+,7+/m0/s1

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Potential Energy
Epot(MMFF94)=104.862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.192 g/mol  logS: 1.06769  SlogP: -4.2914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0924103  Sterimol/B1: 2.45503  Sterimol/B2: 3.68236  Sterimol/B3: 3.70086
  Sterimol/B4: 4.36837  Sterimol/L: 13.1153 
 
 Surface and Volume Properties
  Accessible surface: 400.603  Positive charged surface: 270.657  Negative charged surface: 129.945  Volume: 191.625
  Hydrophobic surface: 132.957  Hydrophilic surface: 267.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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.