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PUBCHEM-ZINC06442184

 MMsINC code: MMs03732044
Type: Neutral
Formula: C19H30O7
SMILES:   O=C1C(CC(CC1(C(OC)=O)C)(C(OC)=O)C)(CC(C(OC)=O)(C)C)C
InChI:   InChI=1/C19H30O7/c1-16(2,13(21)24-6)9-17(3)10-18(4,14(22)25-7)11-19(5,12(17)20)15(23)26-8/h9-11H2,1-8H3/t17-,18+,19+/m1/s1

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Potential Energy
Epot(MMFF94)=201.371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.442 g/mol  logS: -2.06076  SlogP: 2.3035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.224795  Sterimol/B1: 2.25609  Sterimol/B2: 5.45217  Sterimol/B3: 5.78721
  Sterimol/B4: 6.89261  Sterimol/L: 13.5318 
 
 Surface and Volume Properties
  Accessible surface: 585.867  Positive charged surface: 444.823  Negative charged surface: 141.044  Volume: 352.75
  Hydrophobic surface: 440.144  Hydrophilic surface: 145.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.