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


PUBCHEM-ZINC06592028

 MMsINC code: MMs03810860
Type: Neutral
Formula: C11H24O3
SMILES:   O(C(OC)CC(O)CCCCCC)C
InChI:   InChI=1/C11H24O3/c1-4-5-6-7-8-10(12)9-11(13-2)14-3/h10-12H,4-9H2,1-3H3/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)=22.767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.31 g/mol  logS: -2.34564  SlogP: 2.3267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0380441  Sterimol/B1: 3.1288  Sterimol/B2: 3.24047  Sterimol/B3: 3.85346
  Sterimol/B4: 3.99033  Sterimol/L: 16.9272 
 
 Surface and Volume Properties
  Accessible surface: 480.926  Positive charged surface: 406.97  Negative charged surface: 73.9554  Volume: 231.5
  Hydrophobic surface: 403.405  Hydrophilic surface: 77.521
 
 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.