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


CHEMSTAR-ZINC03099503

 MMsINC code: MMs01083222
Type: Neutral
Formula: C3H7O5P
SMILES:   P(O)(O)(=O)CC(OC)=O
InChI:   InChI=1/C3H7O5P/c1-8-3(4)2-9(5,6)7/h2H2,1H3,(H2,5,6,7)

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)=-49.1109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.058 g/mol  logS: 0.67081  SlogP: -1.7331  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.13713  Sterimol/B1: 2.71904  Sterimol/B2: 2.97915  Sterimol/B3: 3.36382
  Sterimol/B4: 3.54209  Sterimol/L: 10.3222 
 
 Surface and Volume Properties
  Accessible surface: 312.534  Positive charged surface: 195.853  Negative charged surface: 116.681  Volume: 114.875
  Hydrophobic surface: 137.162  Hydrophilic surface: 175.372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.