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


NCID-ZINC05328046

 MMsINC code: MMs02451272
Type: Neutral
Formula: C11H25O4P
SMILES:   P(OC(CCC)C)(OC(CC)C)(OCC)=O
InChI:   InChI=1/C11H25O4P/c1-6-9-11(5)15-16(12,13-8-3)14-10(4)7-2/h10-11H,6-9H2,1-5H3/t10-,11-,16-/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)=-9.28026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.291 g/mol  logS: -2.42075  SlogP: 3.0811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204321  Sterimol/B1: 2.56757  Sterimol/B2: 5.69254  Sterimol/B3: 5.74948
  Sterimol/B4: 6.11202  Sterimol/L: 13.2097 
 
 Surface and Volume Properties
  Accessible surface: 519.018  Positive charged surface: 374.101  Negative charged surface: 144.917  Volume: 263.5
  Hydrophobic surface: 386.274  Hydrophilic surface: 132.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.