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NCID-ZINC04721900

 MMsINC code: MMs02397303
Type: Neutral
Formula: C14H26O6
SMILES:   O(C(=O)C(O)C(O)C(OCCCCC)=O)CCCCC
InChI:   InChI=1/C14H26O6/c1-3-5-7-9-19-13(17)11(15)12(16)14(18)20-10-8-6-4-2/h11-12,15-16H,3-10H2,1-2H3/t11-,12+

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Potential Energy
Epot(MMFF94)=36.6728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.356 g/mol  logS: -3.12064  SlogP: 1.175  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151829  Sterimol/B1: 2.81623  Sterimol/B2: 3.18613  Sterimol/B3: 3.8808
  Sterimol/B4: 4.04525  Sterimol/L: 22.1786 
 
 Surface and Volume Properties
  Accessible surface: 611.773  Positive charged surface: 459.841  Negative charged surface: 151.932  Volume: 295.375
  Hydrophobic surface: 422.757  Hydrophilic surface: 189.016
 
 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.