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


PUBCHEM-ZINC05820557

 MMsINC code: MMs03399533
Type: Ionized
Formula: C10H21O4P-2
SMILES:   P(OC(CCCCCC)CCC)(=O)([O-])[O-]
InChI:   InChI=1/C10H23O4P/c1-3-5-6-7-9-10(8-4-2)14-15(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)/p-2/t10-/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)=-5.75757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.248 g/mol  logS: -2.95268  SlogP: 0.9006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389854  Sterimol/B1: 2.58471  Sterimol/B2: 3.30776  Sterimol/B3: 3.52503
  Sterimol/B4: 5.36796  Sterimol/L: 16.1238 
 
 Surface and Volume Properties
  Accessible surface: 488.061  Positive charged surface: 322.66  Negative charged surface: 165.401  Volume: 234.25
  Hydrophobic surface: 334.325  Hydrophilic surface: 153.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 3  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:  
   
Parent related molecule:


MMs03399532
PUBCHEM-ZINC05820557