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


PUBCHEM-ZINC01529461

 MMsINC code: MMs02812897
Type: Neutral
Formula: C4H9O5P
SMILES:   P(OC(=O)CCC)(O)(O)=O
InChI:   InChI=1/C4H9O5P/c1-2-3-4(5)9-10(6,7)8/h2-3H2,1H3,(H2,6,7,8)

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)=-72.91 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.085 g/mol  logS: -0.16546  SlogP: -0.6478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0766497  Sterimol/B1: 2.72131  Sterimol/B2: 2.91638  Sterimol/B3: 3.22098
  Sterimol/B4: 3.63093  Sterimol/L: 11.9589 
 
 Surface and Volume Properties
  Accessible surface: 338.5  Positive charged surface: 200.295  Negative charged surface: 138.205  Volume: 133.75
  Hydrophobic surface: 135.241  Hydrophilic surface: 203.259
 
 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.