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


PUBCHEM-ZINC02545285

 MMsINC code: MMs02898564
Type: Neutral
Formula: C8H19O4P
SMILES:   P(OCCCCCC(C)C)(O)(O)=O
InChI:   InChI=1/C8H19O4P/c1-8(2)6-4-3-5-7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)

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)=-64.1149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.21 g/mol  logS: -2.28066  SlogP: 1.2419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483631  Sterimol/B1: 2.05699  Sterimol/B2: 3.11504  Sterimol/B3: 3.1508
  Sterimol/B4: 4.84372  Sterimol/L: 15.7864 
 
 Surface and Volume Properties
  Accessible surface: 454.756  Positive charged surface: 313.805  Negative charged surface: 140.951  Volume: 204.25
  Hydrophobic surface: 259.936  Hydrophilic surface: 194.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02898565
PUBCHEM-ZINC02545285