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PUBCHEM-ZINC02030906

 MMsINC code: MMs02858893
Type: Neutral
Formula: C16H28O2
SMILES:   O(C(=O)CCCCC)C\C=C(/CCC=C(C)C)\C
InChI:   InChI=1/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12-

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Potential Energy
Epot(MMFF94)=42.4014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.398 g/mol  logS: -4.76439  SlogP: 4.8026  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0494111  Sterimol/B1: 2.80566  Sterimol/B2: 3.78944  Sterimol/B3: 5.63378
  Sterimol/B4: 5.72497  Sterimol/L: 15.9693 
 
 Surface and Volume Properties
  Accessible surface: 582.543  Positive charged surface: 420.476  Negative charged surface: 162.067  Volume: 293.375
  Hydrophobic surface: 498.026  Hydrophilic surface: 84.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.