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PUBCHEM-ZINC06030839

 MMsINC code: MMs03503345
Type: Neutral
Formula: C16H28O4
SMILES:   O1CCOC(=O)CCCCCCCCCC(CC1=O)C
InChI:   InChI=1/C16H28O4/c1-14-9-7-5-3-2-4-6-8-10-15(17)19-11-12-20-16(18)13-14/h14H,2-13H2,1H3/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=68.3353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.396 g/mol  logS: -4.84486  SlogP: 3.6235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139389  Sterimol/B1: 2.22171  Sterimol/B2: 4.623  Sterimol/B3: 5.76588
  Sterimol/B4: 5.9511  Sterimol/L: 12.1003 
 
 Surface and Volume Properties
  Accessible surface: 499.677  Positive charged surface: 379.446  Negative charged surface: 120.231  Volume: 297.75
  Hydrophobic surface: 425.008  Hydrophilic surface: 74.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.