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


PUBCHEM-ZINC01841070

 MMsINC code: MMs02821591
Type: Neutral
Formula: C8H19O4P
SMILES:   P(OCCCC)(OCC)(OCC)=O
InChI:   InChI=1/C8H19O4P/c1-4-7-8-12-13(9,10-5-2)11-6-3/h4-8H2,1-3H3

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)=-15.5083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.21 g/mol  logS: -1.56456  SlogP: 1.914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.072716  Sterimol/B1: 2.5613  Sterimol/B2: 4.00554  Sterimol/B3: 4.53329
  Sterimol/B4: 6.01915  Sterimol/L: 14.5726 
 
 Surface and Volume Properties
  Accessible surface: 468.996  Positive charged surface: 336.831  Negative charged surface: 132.166  Volume: 208.875
  Hydrophobic surface: 343.984  Hydrophilic surface: 125.012
 
 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.