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


PUBCHEM-ZINC02535676

 MMsINC code: MMs02896323
Type: Neutral
Formula: C10H18O2
SMILES:   O=C(CCCCCCC(=O)C)C
InChI:   InChI=1/C10H18O2/c1-9(11)7-5-3-4-6-8-10(2)12/h3-8H2,1-2H3

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)=9.64481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.252 g/mol  logS: -1.46578  SlogP: 2.505  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0286888  Sterimol/B1: 2.37521  Sterimol/B2: 2.51313  Sterimol/B3: 3.31987
  Sterimol/B4: 3.55728  Sterimol/L: 15.8607 
 
 Surface and Volume Properties
  Accessible surface: 432.665  Positive charged surface: 305.64  Negative charged surface: 127.025  Volume: 193.25
  Hydrophobic surface: 359.573  Hydrophilic surface: 73.092
 
 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.