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


PUBCHEM-ZINC06002446

 MMsINC code: MMs03484523
Type: Neutral
Formula: C4H11O4P
SMILES:   P(O)(O)(=O)C(O)(CC)C
InChI:   InChI=1/C4H11O4P/c1-3-4(2,5)9(6,7)8/h5H,3H2,1-2H3,(H2,6,7,8)/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)=-7.83102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.102 g/mol  logS: 0.36937  SlogP: -0.7876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239647  Sterimol/B1: 3.14872  Sterimol/B2: 3.41944  Sterimol/B3: 3.67678
  Sterimol/B4: 3.86292  Sterimol/L: 9.5816 
 
 Surface and Volume Properties
  Accessible surface: 309.544  Positive charged surface: 183.389  Negative charged surface: 126.155  Volume: 131.875
  Hydrophobic surface: 117.056  Hydrophilic surface: 192.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.