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


NCID-ZINC01720861

 MMsINC code: MMs02345767
Type: Neutral
Formula: C13H27O5P
SMILES:   P(OCC)(OCC)(=O)C(CCCCC)C(OCC)=O
InChI:   InChI=1/C13H27O5P/c1-5-9-10-11-12(13(14)16-6-2)19(15,17-7-3)18-8-4/h12H,5-11H2,1-4H3/t12-/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)=5.97204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.328 g/mol  logS: -3.07582  SlogP: 2.6943  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669639  Sterimol/B1: 3.23124  Sterimol/B2: 3.58556  Sterimol/B3: 3.73573
  Sterimol/B4: 8.64033  Sterimol/L: 14.8288 
 
 Surface and Volume Properties
  Accessible surface: 586.446  Positive charged surface: 436.974  Negative charged surface: 149.472  Volume: 296.5
  Hydrophobic surface: 443.573  Hydrophilic surface: 142.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.