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


NCID-ZINC01638827

 MMsINC code: MMs02281190
Type: Ionized
Formula: C12H22IO2-
SMILES:   ICCCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C12H23IO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)/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)=3.46647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.21 g/mol  logS: -5.23365  SlogP: 3.0723  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0220895  Sterimol/B1: 2.37098  Sterimol/B2: 2.37164  Sterimol/B3: 2.93132
  Sterimol/B4: 3.04301  Sterimol/L: 20.8946 
 
 Surface and Volume Properties
  Accessible surface: 547.777  Positive charged surface: 341.52  Negative charged surface: 206.258  Volume: 259.875
  Hydrophobic surface: 451.085  Hydrophilic surface: 96.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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:  
   
Parent related molecule:


MMs02281189
NCID-ZINC01638827