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


PUBCHEM-ZINC05821034

 MMsINC code: MMs03400057
Type: Neutral
Formula: C11H20O
SMILES:   O=C1CCCCC1CCCCC
InChI:   InChI=1/C11H20O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10H,2-9H2,1H3/t10-/m0/s1

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)=12.5951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.28 g/mol  logS: -3.01598  SlogP: 3.326  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0604734  Sterimol/B1: 2.75434  Sterimol/B2: 3.12368  Sterimol/B3: 3.87125
  Sterimol/B4: 3.90462  Sterimol/L: 13.7691 
 
 Surface and Volume Properties
  Accessible surface: 407.294  Positive charged surface: 315.014  Negative charged surface: 92.28  Volume: 196.5
  Hydrophobic surface: 357.19  Hydrophilic surface: 50.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.