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PUBCHEM-ZINC06020858

 MMsINC code: MMs03496042
Type: Ionized
Formula: C10H17O8-
SMILES:   O1C(C(=O)[O-])C(O)C(O)C(O)C1OC(COC)C
InChI:   InChI=1/C10H18O8/c1-4(3-16-2)17-10-7(13)5(11)6(12)8(18-10)9(14)15/h4-8,10-13H,3H2,1-2H3,(H,14,15)/p-1/t4-,5-,6-,7+,8-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=73.9285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.238 g/mol  logS: -0.02391  SlogP: -3.4046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665869  Sterimol/B1: 2.40449  Sterimol/B2: 3.3274  Sterimol/B3: 3.94437
  Sterimol/B4: 6.55762  Sterimol/L: 13.5447 
 
 Surface and Volume Properties
  Accessible surface: 467.861  Positive charged surface: 328.573  Negative charged surface: 139.289  Volume: 225
  Hydrophobic surface: 252.737  Hydrophilic surface: 215.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 2  Basic groups: 0
  Chiral centers: 6
 
 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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Parent related molecule:


MMs03496041
PUBCHEM-ZINC06020858