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


PUBCHEM-ZINC05511784

 MMsINC code: MMs03292404
Type: Neutral
Formula: C3H9O4P
SMILES:   [PH](OCCOC)(O)=O
InChI:   InChI=1/C3H9O4P/c1-6-2-3-7-8(4)5/h8H,2-3H2,1H3,(H,4,5)

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)=-6.01345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.075 g/mol  logS: -0.02017  SlogP: -1.0388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744854  Sterimol/B1: 2.57158  Sterimol/B2: 2.9199  Sterimol/B3: 3.102
  Sterimol/B4: 4.21599  Sterimol/L: 10.6605 
 
 Surface and Volume Properties
  Accessible surface: 323.842  Positive charged surface: 219.005  Negative charged surface: 104.837  Volume: 117.375
  Hydrophobic surface: 202.14  Hydrophilic surface: 121.702
 
 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.