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


PUBCHEM-ZINC05821851

 MMsINC code: MMs03400867
Type: Neutral
Formula: C11H24O3
SMILES:   O(C(CCCC)CC)CCOCCO
InChI:   InChI=1/C11H24O3/c1-3-5-6-11(4-2)14-10-9-13-8-7-12/h11-12H,3-10H2,1-2H3/t11-/m1/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)=36.3378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.31 g/mol  logS: -1.76168  SlogP: 1.9807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0996561  Sterimol/B1: 2.47334  Sterimol/B2: 2.74917  Sterimol/B3: 3.53025
  Sterimol/B4: 9.50091  Sterimol/L: 12.1389 
 
 Surface and Volume Properties
  Accessible surface: 487.988  Positive charged surface: 404.783  Negative charged surface: 83.2049  Volume: 230.25
  Hydrophobic surface: 389.588  Hydrophilic surface: 98.4
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.