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


NCID-ZINC01671061

 MMsINC code: MMs02307060
Type: Neutral
Formula: C11H22O3
SMILES:   OC(CCCCCCCCC(O)=O)C
InChI:   InChI=1/C11H22O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)/t10-/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)=0.766339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.294 g/mol  logS: -2.25916  SlogP: 2.5726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256535  Sterimol/B1: 2.53128  Sterimol/B2: 2.64093  Sterimol/B3: 2.7621
  Sterimol/B4: 3.76429  Sterimol/L: 18.1382 
 
 Surface and Volume Properties
  Accessible surface: 488.667  Positive charged surface: 377.782  Negative charged surface: 110.885  Volume: 222
  Hydrophobic surface: 324.54  Hydrophilic surface: 164.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02307061
NCID-ZINC01671061