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


PUBCHEM-ZINC05819481

 MMsINC code: MMs03398579
Type: Neutral
Formula: C9H20O6P2
SMILES:   P(OCC1(COP(OC1)(=O)C)CC)(OC)(=O)C
InChI:   InChI=1/C9H20O6P2/c1-5-9(6-13-16(3,10)12-2)7-14-17(4,11)15-8-9/h5-8H2,1-4H3/t9-,16-,17+/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)=29.6716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.201 g/mol  logS: -0.57438  SlogP: 0.598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115928  Sterimol/B1: 2.37667  Sterimol/B2: 3.14059  Sterimol/B3: 3.80542
  Sterimol/B4: 7.37751  Sterimol/L: 13.2102 
 
 Surface and Volume Properties
  Accessible surface: 485.408  Positive charged surface: 323.224  Negative charged surface: 162.183  Volume: 247.125
  Hydrophobic surface: 323.488  Hydrophilic surface: 161.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.