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


PUBCHEM-ZINC00202093

 MMsINC code: MMs02638931
Type: Neutral
Formula: C14H22N2
SMILES:   N(Cc1ccccc1)(C)C1CCN(CC1)C
InChI:   InChI=1/C14H22N2/c1-15-10-8-14(9-11-15)16(2)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3

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)=45.5569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.344 g/mol  logS: -1.7066  SlogP: 2.479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.066827  Sterimol/B1: 2.98184  Sterimol/B2: 3.25681  Sterimol/B3: 3.60689
  Sterimol/B4: 4.47142  Sterimol/L: 14.8977 
 
 Surface and Volume Properties
  Accessible surface: 460.462  Positive charged surface: 367.375  Negative charged surface: 93.0874  Volume: 244.25
  Hydrophobic surface: 452.505  Hydrophilic surface: 7.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  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:  
   

Ions/Tautomers related molecules


MMs02638932
PUBCHEM-ZINC00202093