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


PUBCHEM-ZINC03205185

 MMsINC code: MMs03007728
Type: Neutral
Formula: C11H23O3P
SMILES:   P(=O)(CCCC)(CCCC)CCC(O)=O
InChI:   InChI=1/C11H23O3P/c1-3-5-8-15(14,9-6-4-2)10-7-11(12)13/h3-10H2,1-2H3,(H,12,13)

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)=-3.32012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.276 g/mol  logS: -1.06842  SlogP: 2.3542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0769022  Sterimol/B1: 2.79835  Sterimol/B2: 3.22715  Sterimol/B3: 3.29281
  Sterimol/B4: 9.65385  Sterimol/L: 13.6421 
 
 Surface and Volume Properties
  Accessible surface: 507.086  Positive charged surface: 359.297  Negative charged surface: 147.789  Volume: 243.875
  Hydrophobic surface: 338.816  Hydrophilic surface: 168.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03007729
PUBCHEM-ZINC03205185