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


SIAL-ZINC04978673

 MMsINC code: MMs03926716
Type: Neutral
Formula: C18H36O2
SMILES:   OC(=O)CCCCCCCCCCCCCCCCC
InChI:   InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)

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)=-6.34924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.484 g/mol  logS: -7.52381  SlogP: 6.3325  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104258  Sterimol/B1: 1.48557  Sterimol/B2: 1.68492  Sterimol/B3: 3.2654
  Sterimol/B4: 4.23753  Sterimol/L: 26.8808 
 
 Surface and Volume Properties
  Accessible surface: 683.298  Positive charged surface: 545.627  Negative charged surface: 137.671  Volume: 338.875
  Hydrophobic surface: 563.011  Hydrophilic surface: 120.287
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03926717
SIAL-ZINC04978673