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NCID-ZINC05573112

 MMsINC code: MMs02476617
Type: Neutral
Formula: C14H24O8
SMILES:   O1C(COCCOCCOCC(OC(=O)COCC1=O)C)C
InChI:   InChI=1/C14H24O8/c1-11-7-18-5-3-17-4-6-19-8-12(2)22-14(16)10-20-9-13(15)21-11/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=104.921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.338 g/mol  logS: -1.7807  SlogP: -0.0702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843372  Sterimol/B1: 3.31076  Sterimol/B2: 3.32277  Sterimol/B3: 5.4918
  Sterimol/B4: 6.84663  Sterimol/L: 13.4458 
 
 Surface and Volume Properties
  Accessible surface: 558.628  Positive charged surface: 454.447  Negative charged surface: 104.181  Volume: 298.375
  Hydrophobic surface: 434.036  Hydrophilic surface: 124.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.