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


PUBCHEM-ZINC06021088

 MMsINC code: MMs03496316
Type: Neutral
Formula: C4H11O4P
SMILES:   P(OC)(OC)(=O)C(O)C
InChI:   InChI=1/C4H11O4P/c1-4(5)9(6,7-2)8-3/h4-5H,1-3H3/t4-/m0/s1

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)=31.974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.102 g/mol  logS: 0.38322  SlogP: -0.2596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190628  Sterimol/B1: 2.28203  Sterimol/B2: 3.54178  Sterimol/B3: 4.56274
  Sterimol/B4: 4.56668  Sterimol/L: 8.87126 
 
 Surface and Volume Properties
  Accessible surface: 324.745  Positive charged surface: 248.636  Negative charged surface: 76.1093  Volume: 136.25
  Hydrophobic surface: 222.467  Hydrophilic surface: 102.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.