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NCID-ZINC05203148

 MMsINC code: MMs02448687
Type: Neutral
Formula: C8H14O7
SMILES:   O(C(=O)C)CC(O)C(O)C(O)C(O)C=O
InChI:   InChI=1/C8H14O7/c1-4(10)15-3-6(12)8(14)7(13)5(11)2-9/h2,5-8,11-14H,3H2,1H3/t5-,6+,7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=69.4075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.193 g/mol  logS: 0.77154  SlogP: -2.808  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0681453  Sterimol/B1: 2.48068  Sterimol/B2: 3.25374  Sterimol/B3: 3.56863
  Sterimol/B4: 3.87714  Sterimol/L: 14.7906 
 
 Surface and Volume Properties
  Accessible surface: 415.364  Positive charged surface: 266.226  Negative charged surface: 149.139  Volume: 191.5
  Hydrophobic surface: 186.033  Hydrophilic surface: 229.331
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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: no related molecules available.