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PUBCHEM-ZINC05178811

 MMsINC code: MMs03221036
Type: Neutral
Formula: C10H10O8
SMILES:   O(CCOC(=O)\C=C\C(O)=O)C(=O)\C=C\C(O)=O
InChI:   InChI=1/C10H10O8/c11-7(12)1-3-9(15)17-5-6-18-10(16)4-2-8(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)/b3-1+,4-2+

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Potential Energy
Epot(MMFF94)=6.21938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.182 g/mol  logS: -1.4102  SlogP: -0.6456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235801  Sterimol/B1: 2.39655  Sterimol/B2: 2.57222  Sterimol/B3: 3.16284
  Sterimol/B4: 6.311  Sterimol/L: 17.2767 
 
 Surface and Volume Properties
  Accessible surface: 497.587  Positive charged surface: 272.467  Negative charged surface: 225.12  Volume: 214.375
  Hydrophobic surface: 206.126  Hydrophilic surface: 291.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03221037
PUBCHEM-ZINC05178811