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


PUBCHEM-ZINC05462600

 MMsINC code: MMs03276813
Type: Neutral
Formula: C4H11O4P
SMILES:   [PH](OCCOCC)(O)=O
InChI:   InChI=1/C4H11O4P/c1-2-7-3-4-8-9(5)6/h9H,2-4H2,1H3,(H,5,6)

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)=-8.17434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.102 g/mol  logS: -0.34738  SlogP: -0.6487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0725485  Sterimol/B1: 2.5096  Sterimol/B2: 3.05174  Sterimol/B3: 3.05489
  Sterimol/B4: 4.78819  Sterimol/L: 11.4125 
 
 Surface and Volume Properties
  Accessible surface: 357.896  Positive charged surface: 233.902  Negative charged surface: 123.994  Volume: 135.25
  Hydrophobic surface: 217.219  Hydrophilic surface: 140.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.