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PUBCHEM-ZINC05832127

 MMsINC code: MMs03406077
Type: Neutral
Formula: C20H24O6
SMILES:   O1C2C(C(=C)C1=O)C(O)C(OC(=O)\C(=C/C)\C)C(C1C2C(=CC1=O)C)C
InChI:   InChI=1/C20H24O6/c1-6-8(2)19(23)25-17-10(4)14-12(21)7-9(3)13(14)18-15(16(17)22)11(5)20(24)26-18/h6-7,10,13-18,22H,5H2,1-4H3/b8-6-/t10-,13+,14+,15-,16+,17-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=122.577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.406 g/mol  logS: -2.84081  SlogP: 1.7342  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.160091  Sterimol/B1: 2.29121  Sterimol/B2: 4.60119  Sterimol/B3: 5.95555
  Sterimol/B4: 7.00523  Sterimol/L: 14.6985 
 
 Surface and Volume Properties
  Accessible surface: 580.392  Positive charged surface: 351.143  Negative charged surface: 229.249  Volume: 339.25
  Hydrophobic surface: 382.444  Hydrophilic surface: 197.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.