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


PUBCHEM-ZINC03086397

 MMsINC code: MMs02991842
Type: Neutral
Formula: C16H27O3P
SMILES:   P(OC(CCC)C)(OC(CCC)C)(=O)c1ccccc1
InChI:   InChI=1/C16H27O3P/c1-5-10-14(3)18-20(17,19-15(4)11-6-2)16-12-8-7-9-13-16/h7-9,12-15H,5-6,10-11H2,1-4H3/t14-,15+,20+

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)=25.095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.363 g/mol  logS: -4.17806  SlogP: 3.8452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.284652  Sterimol/B1: 2.3522  Sterimol/B2: 2.70845  Sterimol/B3: 7.14262
  Sterimol/B4: 8.0308  Sterimol/L: 13.1487 
 
 Surface and Volume Properties
  Accessible surface: 566.557  Positive charged surface: 371.649  Negative charged surface: 194.908  Volume: 314.875
  Hydrophobic surface: 460.31  Hydrophilic surface: 106.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.