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


PUBCHEM-ZINC05849638

 MMsINC code: MMs03415993
Type: Neutral
Formula: C5H11O5P
SMILES:   P(OCC1OCCC1)(O)(O)=O
InChI:   InChI=1/C5H11O5P/c6-11(7,8)10-4-5-2-1-3-9-5/h5H,1-4H2,(H2,6,7,8)/t5-/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)=-51.9365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.112 g/mol  logS: 0.1294  SlogP: -0.7955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107334  Sterimol/B1: 2.69427  Sterimol/B2: 3.40133  Sterimol/B3: 3.63715
  Sterimol/B4: 3.64709  Sterimol/L: 11.8121 
 
 Surface and Volume Properties
  Accessible surface: 363.113  Positive charged surface: 243.808  Negative charged surface: 119.305  Volume: 148.625
  Hydrophobic surface: 196.351  Hydrophilic surface: 166.762
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs03415994
PUBCHEM-ZINC05849638