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


CHEMBRIDGE-ZINC02904946

 MMsINC code: MMs00740111
Type: Ionized
Formula: C11H27NO3P+
SMILES:   P(OCC)(OCC)(=O)CCC[NH+](CC)CC
InChI:   InChI=1/C11H26NO3P/c1-5-12(6-2)10-9-11-16(13,14-7-3)15-8-4/h5-11H2,1-4H3/p+1

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)=-3.52184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.315 g/mol  logS: -0.99549  SlogP: 0.4971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0667276  Sterimol/B1: 2.86879  Sterimol/B2: 3.02877  Sterimol/B3: 4.0726
  Sterimol/B4: 7.92867  Sterimol/L: 13.9595 
 
 Surface and Volume Properties
  Accessible surface: 551.208  Positive charged surface: 429.071  Negative charged surface: 122.137  Volume: 271.125
  Hydrophobic surface: 417.796  Hydrophilic surface: 133.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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:  
   
Parent related molecule:


MMs00740110
CHEMBRIDGE-ZINC02904946