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


NCID-ZINC01765498

 MMsINC code: MMs02369479
Type: Neutral
Formula: C13H24O
SMILES:   OC/C(=C(/C(=C/CC)/CC)\CC)/CC
InChI:   InChI=1/C13H24O/c1-5-9-11(6-2)13(8-4)12(7-3)10-14/h9,14H,5-8,10H2,1-4H3/b11-9+,13-12-

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)=41.5139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.334 g/mol  logS: -4.08598  SlogP: 3.8417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.289266  Sterimol/B1: 2.81142  Sterimol/B2: 2.98008  Sterimol/B3: 5.03054
  Sterimol/B4: 6.28424  Sterimol/L: 11.7275 
 
 Surface and Volume Properties
  Accessible surface: 441.003  Positive charged surface: 314.937  Negative charged surface: 126.066  Volume: 237.25
  Hydrophobic surface: 308.68  Hydrophilic surface: 132.323
 
 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.