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SIAL-ZINC04789736

 MMsINC code: MMs03925398
Type: Neutral
Formula: C15H28O2
SMILES:   OC(=O)CCCCCCCCCCCCC=C
InChI:   InChI=1/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=0.549924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.387 g/mol  logS: -5.62555  SlogP: 4.9382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0170134  Sterimol/B1: 2.18655  Sterimol/B2: 2.65391  Sterimol/B3: 3.33023
  Sterimol/B4: 3.36862  Sterimol/L: 22.8003 
 
 Surface and Volume Properties
  Accessible surface: 592.954  Positive charged surface: 448.886  Negative charged surface: 144.068  Volume: 281.375
  Hydrophobic surface: 441.861  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03925399
SIAL-ZINC04789736