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


PUBCHEM-ZINC00300308

 MMsINC code: MMs02651748
Type: Ionized
Formula: C14H25N2+
SMILES:   [NH+](Cc1ccc(cc1)CC)(CCN(C)C)C
InChI:   InChI=1/C14H24N2/c1-5-13-6-8-14(9-7-13)12-16(4)11-10-15(2)3/h6-9H,5,10-12H2,1-4H3/p+1

Download   format file 
Drug Similarity  |  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)=46.7473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.368 g/mol  logS: -2.11897  SlogP: 1.09167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603499  Sterimol/B1: 2.85025  Sterimol/B2: 3.24743  Sterimol/B3: 3.42332
  Sterimol/B4: 5.02887  Sterimol/L: 17.178 
 
 Surface and Volume Properties
  Accessible surface: 515.511  Positive charged surface: 430.046  Negative charged surface: 85.465  Volume: 264.375
  Hydrophobic surface: 459.698  Hydrophilic surface: 55.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs02651747
PUBCHEM-ZINC00300308