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


PUBCHEM-ZINC05689235

 MMsINC code: MMs03349486
Type: Neutral
Formula: C13H19N
SMILES:   N(C)(C)C1CCCc2c(C1)cccc2
InChI:   InChI=1/C13H19N/c1-14(2)13-9-5-8-11-6-3-4-7-12(11)10-13/h3-4,6-7,13H,5,8-10H2,1-2H3/t13-/m1/s1

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)=54.1794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.302 g/mol  logS: -2.21866  SlogP: 2.49554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13361  Sterimol/B1: 2.27799  Sterimol/B2: 4.06016  Sterimol/B3: 4.60995
  Sterimol/B4: 4.71203  Sterimol/L: 11.97 
 
 Surface and Volume Properties
  Accessible surface: 404.04  Positive charged surface: 303.446  Negative charged surface: 100.594  Volume: 215.125
  Hydrophobic surface: 400.869  Hydrophilic surface: 3.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03349487
PUBCHEM-ZINC05689235