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


PUBCHEM-ZINC03638656

 MMsINC code: MMs03030510
Type: Neutral
Formula: C4H12O6P2
SMILES:   P(OC)(OP(OC)(OC)=O)(=O)C
InChI:   InChI=1/C4H12O6P2/c1-7-11(4,5)10-12(6,8-2)9-3/h1-4H3/t11-/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)=-29.1792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.082 g/mol  logS: 0.25586  SlogP: -0.2672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164804  Sterimol/B1: 2.44348  Sterimol/B2: 2.54449  Sterimol/B3: 4.40309
  Sterimol/B4: 5.73644  Sterimol/L: 10.9197 
 
 Surface and Volume Properties
  Accessible surface: 403.025  Positive charged surface: 300.648  Negative charged surface: 102.377  Volume: 174.25
  Hydrophobic surface: 296.455  Hydrophilic surface: 106.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.