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


PUBCHEM-ZINC05274048

 MMsINC code: MMs03229268
Type: Neutral
Formula: C6H13O8PS
SMILES:   S1C(COP(O)(O)=O)C(O)C(O)C(O)C1O
InChI:   InChI=1/C6H13O8PS/c7-3-2(1-14-15(11,12)13)16-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/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)=-0.707976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.202 g/mol  logS: 0.61313  SlogP: -3.458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103977  Sterimol/B1: 2.97665  Sterimol/B2: 2.99719  Sterimol/B3: 3.90539
  Sterimol/B4: 4.84203  Sterimol/L: 13.0078 
 
 Surface and Volume Properties
  Accessible surface: 430.457  Positive charged surface: 275.837  Negative charged surface: 154.62  Volume: 202.25
  Hydrophobic surface: 101.027  Hydrophilic surface: 329.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03229269
PUBCHEM-ZINC05274048