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


PUBCHEM-ZINC05760933

 MMsINC code: MMs03374158
Type: Neutral
Formula: C8H20O7P2
SMILES:   P(OC(C)C)(OC)(OP(OC(C)C)(OC)=O)=O
InChI:   InChI=1/C8H20O7P2/c1-7(2)13-16(9,11-5)15-17(10,12-6)14-8(3)4/h7-8H,1-6H3/t16-,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)=-41.0047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.189 g/mol  logS: -1.30754  SlogP: 1.2216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0711165  Sterimol/B1: 2.99402  Sterimol/B2: 3.38208  Sterimol/B3: 4.1605
  Sterimol/B4: 6.844  Sterimol/L: 14.5498 
 
 Surface and Volume Properties
  Accessible surface: 516.872  Positive charged surface: 351.237  Negative charged surface: 165.635  Volume: 253
  Hydrophobic surface: 350.676  Hydrophilic surface: 166.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.