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NCID-ZINC01672969

 MMsINC code: MMs02308985
Type: Neutral
Formula: C14H26O6
SMILES:   O(C(=O)C(O)C(O)C(OCCC(C)C)=O)CCC(C)C
InChI:   InChI=1/C14H26O6/c1-9(2)5-7-19-13(17)11(15)12(16)14(18)20-8-6-10(3)4/h9-12,15-16H,5-8H2,1-4H3/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=50.1478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.356 g/mol  logS: -3.12064  SlogP: 0.8868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468122  Sterimol/B1: 2.44262  Sterimol/B2: 3.62181  Sterimol/B3: 4.70185
  Sterimol/B4: 5.20956  Sterimol/L: 18.5735 
 
 Surface and Volume Properties
  Accessible surface: 594.649  Positive charged surface: 417.553  Negative charged surface: 177.097  Volume: 290.875
  Hydrophobic surface: 373.704  Hydrophilic surface: 220.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.