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


PUBCHEM-ZINC05523805

 MMsINC code: MMs03296892
Type: Neutral
Formula: C10H20O3
SMILES:   O(C(COC)C)C(=O)CCCCC
InChI:   InChI=1/C10H20O3/c1-4-5-6-7-10(11)13-9(2)8-12-3/h9H,4-8H2,1-3H3/t9-/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)=19.2064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.267 g/mol  logS: -2.22335  SlogP: 2.1448  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0415698  Sterimol/B1: 2.94044  Sterimol/B2: 3.1158  Sterimol/B3: 3.2932
  Sterimol/B4: 4.44143  Sterimol/L: 16.0413 
 
 Surface and Volume Properties
  Accessible surface: 461.512  Positive charged surface: 374.752  Negative charged surface: 86.7604  Volume: 208.375
  Hydrophobic surface: 385.114  Hydrophilic surface: 76.398
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.