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


PUBCHEM-ZINC03159225

 MMsINC code: MMs03002975
Type: Neutral
Formula: C14H21O4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(=O)c1ccccc1C
InChI:   InChI=1/C14H21O4P/c1-10(2)17-19(16,18-11(3)4)14(15)13-9-7-6-8-12(13)5/h6-11H,1-5H3

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)=65.0226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.292 g/mol  logS: -3.54935  SlogP: 3.10812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12347  Sterimol/B1: 2.43367  Sterimol/B2: 2.81978  Sterimol/B3: 4.85145
  Sterimol/B4: 7.55295  Sterimol/L: 13.5793 
 
 Surface and Volume Properties
  Accessible surface: 519.047  Positive charged surface: 312.224  Negative charged surface: 206.823  Volume: 277.75
  Hydrophobic surface: 387.376  Hydrophilic surface: 131.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.