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SIAL-ZINC05260769

 MMsINC code: MMs03926985
Type: Neutral
Formula: C15H28O2
SMILES:   OC(=O)CCCCCCCC\C=C/CCCC
InChI:   InChI=1/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6H,2-4,7-14H2,1H3,(H,16,17)/b6-5-

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Potential Energy
Epot(MMFF94)=15.6709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.387 g/mol  logS: -5.44073  SlogP: 4.9382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224831  Sterimol/B1: 2.54692  Sterimol/B2: 2.97467  Sterimol/B3: 3.34635
  Sterimol/B4: 6.52916  Sterimol/L: 20.631 
 
 Surface and Volume Properties
  Accessible surface: 588.132  Positive charged surface: 452.002  Negative charged surface: 136.13  Volume: 280.375
  Hydrophobic surface: 441.435  Hydrophilic surface: 146.697
 
 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


MMs03926986
SIAL-ZINC05260769