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


ASINEX-ZINC02473096

 MMsINC code: MMs00272180
Type: Neutral
Formula: C8H17O6P
SMILES:   P(OC)(OC)(=O)C(O)(CC(OCC)=O)C
InChI:   InChI=1/C8H17O6P/c1-5-14-7(9)6-8(2,10)15(11,12-3)13-4/h10H,5-6H2,1-4H3/t8-/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)=42.375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.192 g/mol  logS: -0.40931  SlogP: 0.0638  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.073956  Sterimol/B1: 3.5628  Sterimol/B2: 3.58728  Sterimol/B3: 3.65273
  Sterimol/B4: 4.52247  Sterimol/L: 14.6089 
 
 Surface and Volume Properties
  Accessible surface: 457.37  Positive charged surface: 352.188  Negative charged surface: 105.182  Volume: 214.75
  Hydrophobic surface: 329.307  Hydrophilic surface: 128.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.