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


PUBCHEM-ZINC06117236

 MMsINC code: MMs03546216
Type: Neutral
Formula: C14H19N
SMILES:   N1CCc2c(cccc2)C12CCCCC2
InChI:   InChI=1/C14H19N/c1-4-9-14(10-5-1)13-7-3-2-6-12(13)8-11-15-14/h2-3,6-7,15H,1,4-5,8-11H2

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)=47.7321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.313 g/mol  logS: -2.78039  SlogP: 3.30317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180816  Sterimol/B1: 3.43924  Sterimol/B2: 3.45701  Sterimol/B3: 3.70611
  Sterimol/B4: 6.05072  Sterimol/L: 11.963 
 
 Surface and Volume Properties
  Accessible surface: 407.518  Positive charged surface: 294.345  Negative charged surface: 113.173  Volume: 218.875
  Hydrophobic surface: 392.886  Hydrophilic surface: 14.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs03546217
PUBCHEM-ZINC06117236