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


PUBCHEM-ZINC03869781

 MMsINC code: MMs03078898
Type: Neutral
Formula: C6H11O9P
SMILES:   P(OCC1OC(=O)C(O)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H2,11,12,13)/t2-,3+,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)=-16.7465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.119 g/mol  logS: 0.87503  SlogP: -3.9664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107693  Sterimol/B1: 3.01783  Sterimol/B2: 3.25709  Sterimol/B3: 3.79607
  Sterimol/B4: 4.97807  Sterimol/L: 12.7215 
 
 Surface and Volume Properties
  Accessible surface: 419.062  Positive charged surface: 250.52  Negative charged surface: 168.542  Volume: 185
  Hydrophobic surface: 87.5704  Hydrophilic surface: 331.4916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03078899
PUBCHEM-ZINC03869781