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


PUBCHEM-ZINC04952299

 MMsINC code: MMs03185817
Type: Neutral
Formula: C10H23O4P
SMILES:   P(OCCCCCC)(OCC)(OCC)=O
InChI:   InChI=1/C10H23O4P/c1-4-7-8-9-10-14-15(11,12-5-2)13-6-3/h4-10H2,1-3H3

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)=-15.4899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.264 g/mol  logS: -2.595  SlogP: 2.6942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0487369  Sterimol/B1: 2.63525  Sterimol/B2: 4.34984  Sterimol/B3: 4.55363
  Sterimol/B4: 5.71659  Sterimol/L: 16.9988 
 
 Surface and Volume Properties
  Accessible surface: 528.537  Positive charged surface: 390.158  Negative charged surface: 138.38  Volume: 242.125
  Hydrophobic surface: 403.397  Hydrophilic surface: 125.14
 
 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.