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SIAL-ZINC04789662

 MMsINC code: MMs03925384
Type: Neutral
Formula: C19H36O2
SMILES:   OC(=O)CCCCCCCCCCCCCCCCC=C
InChI:   InChI=1/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2H,1,3-18H2,(H,20,21)

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Potential Energy
Epot(MMFF94)=0.547727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.495 g/mol  logS: -7.68643  SlogP: 6.4986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0108748  Sterimol/B1: 2.20559  Sterimol/B2: 2.57587  Sterimol/B3: 3.35528
  Sterimol/B4: 3.39627  Sterimol/L: 27.7851 
 
 Surface and Volume Properties
  Accessible surface: 716.684  Positive charged surface: 559.615  Negative charged surface: 157.069  Volume: 350.75
  Hydrophobic surface: 565.591  Hydrophilic surface: 151.093
 
 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


MMs03925385
SIAL-ZINC04789662