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


PUBCHEM-ZINC01536809

 MMsINC code: MMs02813920
Type: Neutral
Formula: C11H22NO5P
SMILES:   P(O)(O)(=O)CCC1CCCCC1CC(N)C(O)=O
InChI:   InChI=1/C11H22NO5P/c12-10(11(13)14)7-9-4-2-1-3-8(9)5-6-18(15,16)17/h8-10H,1-7,12H2,(H,13,14)(H2,15,16,17)/t8-,9-,10-/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)=-3.31295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.273 g/mol  logS: -1.37414  SlogP: 0.0924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144478  Sterimol/B1: 2.42469  Sterimol/B2: 3.01406  Sterimol/B3: 4.0283
  Sterimol/B4: 8.31792  Sterimol/L: 13.0197 
 
 Surface and Volume Properties
  Accessible surface: 496.106  Positive charged surface: 329.661  Negative charged surface: 166.445  Volume: 251.625
  Hydrophobic surface: 216.422  Hydrophilic surface: 279.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.