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PUBCHEM-ZINC06185487

 MMsINC code: MMs03586506
Type: Neutral
Formula: C14H18O6
SMILES:   O1C(CO)C(=O)C(O)C(=O)C1OC\C=C\C=C\C=C\C
InChI:   InChI=1/C14H18O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h2-7,10,12,14-15,17H,8-9H2,1H3/b3-2+,5-4+,7-6+/t10-,12+,14-/m1/s1

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Potential Energy
Epot(MMFF94)=60.2671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.292 g/mol  logS: -3.25508  SlogP: -0.0922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0275357  Sterimol/B1: 2.82711  Sterimol/B2: 3.16158  Sterimol/B3: 4.91911
  Sterimol/B4: 5.41574  Sterimol/L: 18.739 
 
 Surface and Volume Properties
  Accessible surface: 570.649  Positive charged surface: 354.88  Negative charged surface: 215.769  Volume: 268.125
  Hydrophobic surface: 347.313  Hydrophilic surface: 223.336
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.