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


PUBCHEM-ZINC04096390

 MMsINC code: MMs03089905
Type: Neutral
Formula: C7H15O9P
SMILES:   P(OCC(O)C(O)C(O)C(O)C(=O)C)(O)(O)=O
InChI:   InChI=1/C7H15O9P/c1-3(8)5(10)7(12)6(11)4(9)2-16-17(13,14)15/h4-7,9-12H,2H2,1H3,(H2,13,14,15)/t4-,5-,6-,7+/m1/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)=-3.46331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.162 g/mol  logS: 1.29587  SlogP: -3.9419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0739091  Sterimol/B1: 2.35724  Sterimol/B2: 2.43371  Sterimol/B3: 4.13103
  Sterimol/B4: 4.45551  Sterimol/L: 14.7722 
 
 Surface and Volume Properties
  Accessible surface: 462.892  Positive charged surface: 263.037  Negative charged surface: 199.855  Volume: 213.625
  Hydrophobic surface: 141.001  Hydrophilic surface: 321.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03089906
PUBCHEM-ZINC04096390