logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC05157674

 MMsINC code: MMs03214070
Type: Neutral
Formula: C14H28O
SMILES:   OCCCCCCCCCCCCC=C
InChI:   InChI=1/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,15H,1,3-14H2

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=6.60304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.377 g/mol  logS: -5.2318  SlogP: 4.4558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0197408  Sterimol/B1: 2.18919  Sterimol/B2: 2.52943  Sterimol/B3: 2.82666
  Sterimol/B4: 3.36643  Sterimol/L: 21.5706 
 
 Surface and Volume Properties
  Accessible surface: 560.063  Positive charged surface: 446.281  Negative charged surface: 113.781  Volume: 262.5
  Hydrophobic surface: 455.541  Hydrophilic surface: 104.522
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.