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


PUBCHEM-ZINC05822169

 MMsINC code: MMs03401165
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-/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)=33.5303 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: 0.0798192  Sterimol/B1: 2.33912  Sterimol/B2: 3.16477  Sterimol/B3: 3.26337
  Sterimol/B4: 7.09066  Sterimol/L: 14.7744 
 
 Surface and Volume Properties
  Accessible surface: 498.277  Positive charged surface: 414.296  Negative charged surface: 83.9816  Volume: 231.25
  Hydrophobic surface: 398.277  Hydrophilic surface: 100
 
 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.