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


PUBCHEM-ZINC03091229

 MMsINC code: MMs02992131
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)=32.6308 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: 0.378505  Sterimol/B1: 2.52904  Sterimol/B2: 3.07951  Sterimol/B3: 6.74119
  Sterimol/B4: 9.04174  Sterimol/L: 12.7027 
 
 Surface and Volume Properties
  Accessible surface: 572.592  Positive charged surface: 372.54  Negative charged surface: 200.052  Volume: 313.125
  Hydrophobic surface: 476.745  Hydrophilic surface: 95.847
 
 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.