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


NCID-ZINC05106046

 MMsINC code: MMs02442215
Type: Neutral
Formula: C11H24N+
SMILES:   [N+](C)(C)(C)C1CC(CCC1C)C
InChI:   InChI=1/C11H24N/c1-9-6-7-10(2)11(8-9)12(3,4)5/h9-11H,6-8H2,1-5H3/q+1/t9-,10-,11-/m1/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)=87.1461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.32 g/mol  logS: -1.54618  SlogP: 2.5173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204658  Sterimol/B1: 2.9341  Sterimol/B2: 3.28487  Sterimol/B3: 3.47857
  Sterimol/B4: 5.89574  Sterimol/L: 10.8458 
 
 Surface and Volume Properties
  Accessible surface: 383.38  Positive charged surface: 333.409  Negative charged surface: 49.9713  Volume: 203.75
  Hydrophobic surface: 298.366  Hydrophilic surface: 85.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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.