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


PUBCHEM-ZINC02531052

 MMsINC code: MMs02894707
Type: Neutral
Formula: C5H13O7P
SMILES:   P(OCC(OC)(OC)CO)(O)(O)=O
InChI:   InChI=1/C5H13O7P/c1-10-5(3-6,11-2)4-12-13(7,8)9/h6H,3-4H2,1-2H3,(H2,7,8,9)

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)=-22.0394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.126 g/mol  logS: 0.68572  SlogP: -1.9931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115788  Sterimol/B1: 2.2077  Sterimol/B2: 2.40803  Sterimol/B3: 3.5576
  Sterimol/B4: 6.93758  Sterimol/L: 11.6982 
 
 Surface and Volume Properties
  Accessible surface: 389.506  Positive charged surface: 279.972  Negative charged surface: 109.534  Volume: 172.125
  Hydrophobic surface: 189.2  Hydrophilic surface: 200.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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


MMs02894708
PUBCHEM-ZINC02531052