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PUBCHEM-ZINC05157662

 MMsINC code: MMs03214062
Type: Neutral
Formula: C17H32O2
SMILES:   OC(=O)CCCCCCCCCCCCCCC=C
InChI:   InChI=1/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2H,1,3-16H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=0.545077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.441 g/mol  logS: -6.65599  SlogP: 5.7184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0134514  Sterimol/B1: 2.20037  Sterimol/B2: 2.6103  Sterimol/B3: 3.36055
  Sterimol/B4: 3.36687  Sterimol/L: 25.2894 
 
 Surface and Volume Properties
  Accessible surface: 654.707  Positive charged surface: 500.515  Negative charged surface: 154.193  Volume: 315.125
  Hydrophobic surface: 502.252  Hydrophilic surface: 152.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03214063
PUBCHEM-ZINC05157662