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


ALFAAESAR-ZINC01756529

 MMsINC code: MMs00022142
Type: Neutral
Formula: C11H25O3P
SMILES:   P(OCCCC)(OCCCC)(=O)CCC
InChI:   InChI=1/C11H25O3P/c1-4-7-9-13-15(12,11-6-3)14-10-8-5-2/h4-11H2,1-3H3

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)=0.996156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.292 g/mol  logS: -2.22876  SlogP: 3.1527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123639  Sterimol/B1: 2.5385  Sterimol/B2: 2.77042  Sterimol/B3: 5.11509
  Sterimol/B4: 9.62511  Sterimol/L: 13.8246 
 
 Surface and Volume Properties
  Accessible surface: 541.442  Positive charged surface: 404.806  Negative charged surface: 136.636  Volume: 253.625
  Hydrophobic surface: 435.441  Hydrophilic surface: 106.001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.