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


PUBCHEM-ZINC01529544

 MMsINC code: MMs02812920
Type: Neutral
Formula: C5H13O8P
SMILES:   P(OCC(O)C(O)C(O)CO)(O)(O)=O
InChI:   InChI=1/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5-/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)=-16.5316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.125 g/mol  logS: 1.63458  SlogP: -3.8995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0589148  Sterimol/B1: 3.05073  Sterimol/B2: 3.05427  Sterimol/B3: 3.20886
  Sterimol/B4: 3.87168  Sterimol/L: 14.2192 
 
 Surface and Volume Properties
  Accessible surface: 412.488  Positive charged surface: 260.905  Negative charged surface: 151.583  Volume: 177
  Hydrophobic surface: 101.292  Hydrophilic surface: 311.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02812921
PUBCHEM-ZINC01529544