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


PUBCHEM-ZINC02564886

 MMsINC code: MMs02901766
Type: Neutral
Formula: C9H20O3
SMILES:   O(CCCOCCC)CCCO
InChI:   InChI=1/C9H20O3/c1-2-6-11-8-4-9-12-7-3-5-10/h10H,2-9H2,1H3

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)=10.4112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.256 g/mol  logS: -0.6058  SlogP: 1.2021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0225465  Sterimol/B1: 2.37518  Sterimol/B2: 2.37553  Sterimol/B3: 2.46641
  Sterimol/B4: 2.88326  Sterimol/L: 17.8631 
 
 Surface and Volume Properties
  Accessible surface: 462.667  Positive charged surface: 390.262  Negative charged surface: 72.4047  Volume: 199.375
  Hydrophobic surface: 374.894  Hydrophilic surface: 87.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.