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


PUBCHEM-ZINC05418173

 MMsINC code: MMs03262885
Type: Neutral
Formula: C6H15O3P
SMILES:   [PH](OCCCCCC)(O)=O
InChI:   InChI=1/C6H15O3P/c1-2-3-4-5-6-9-10(7)8/h10H,2-6H2,1H3,(H,7,8)

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)=-20.4162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.157 g/mol  logS: -1.95217  SlogP: 0.8951  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433765  Sterimol/B1: 2.61484  Sterimol/B2: 2.64947  Sterimol/B3: 2.78297
  Sterimol/B4: 3.22368  Sterimol/L: 14.5262 
 
 Surface and Volume Properties
  Accessible surface: 393.395  Positive charged surface: 255.148  Negative charged surface: 138.246  Volume: 161.375
  Hydrophobic surface: 255.988  Hydrophilic surface: 137.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.