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


NCID-ZINC01732665

 MMsINC code: MMs02355322
Type: Neutral
Formula: C8H19O4P
SMILES:   P(OC(CC)C)(OCC)(OCC)=O
InChI:   InChI=1/C8H19O4P/c1-5-8(4)12-13(9,10-6-2)11-7-3/h8H,5-7H2,1-4H3/t8-/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)=-12.3822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.21 g/mol  logS: -1.37655  SlogP: 1.9124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206246  Sterimol/B1: 2.48653  Sterimol/B2: 4.57294  Sterimol/B3: 5.37301
  Sterimol/B4: 5.94379  Sterimol/L: 10.8601 
 
 Surface and Volume Properties
  Accessible surface: 455.308  Positive charged surface: 331.247  Negative charged surface: 124.061  Volume: 206.625
  Hydrophobic surface: 336.216  Hydrophilic surface: 119.092
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.