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


PUBCHEM-ZINC03869778

 MMsINC code: MMs03078893
Type: Ionized
Formula: C6H9O9P-2
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)/p-2/t2-,3+,4+,5+/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)=36.0856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.103 g/mol  logS: 0.73199  SlogP: -5.2304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164369  Sterimol/B1: 2.48751  Sterimol/B2: 3.56697  Sterimol/B3: 4.39349
  Sterimol/B4: 4.61339  Sterimol/L: 11.2448 
 
 Surface and Volume Properties
  Accessible surface: 385.675  Positive charged surface: 174.498  Negative charged surface: 211.177  Volume: 177.625
  Hydrophobic surface: 92.1814  Hydrophilic surface: 293.4936
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 3  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:  
   
Parent related molecule:


MMs03078892
PUBCHEM-ZINC03869778