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


NCID-ZINC01677823

 MMsINC code: MMs02312762
Type: Neutral
Formula: C17H26O2
SMILES:   O(C(OC)\C=C\c1ccc(cc1)CCCCCC)C
InChI:   InChI=1/C17H26O2/c1-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17(18-2)19-3/h9-14,17H,4-8H2,1-3H3/b14-13+

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)=45.4625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.393 g/mol  logS: -5.08029  SlogP: 4.44147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354079  Sterimol/B1: 3.0615  Sterimol/B2: 3.66401  Sterimol/B3: 3.73811
  Sterimol/B4: 5.50265  Sterimol/L: 19.9084 
 
 Surface and Volume Properties
  Accessible surface: 593.199  Positive charged surface: 442.764  Negative charged surface: 150.435  Volume: 296.5
  Hydrophobic surface: 538.809  Hydrophilic surface: 54.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.