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


PUBCHEM-ZINC05605988

 MMsINC code: MMs03322834
Type: Neutral
Formula: C8H14N2
SMILES:   n1ccn(C)c1CCCC
InChI:   InChI=1/C8H14N2/c1-3-4-5-8-9-6-7-10(8)2/h6-7H,3-5H2,1-2H3

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)=7.07668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.214 g/mol  logS: -1.10761  SlogP: 2.12187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106974  Sterimol/B1: 2.21229  Sterimol/B2: 3.80015  Sterimol/B3: 3.90007
  Sterimol/B4: 3.90902  Sterimol/L: 11.6597 
 
 Surface and Volume Properties
  Accessible surface: 358.59  Positive charged surface: 290.566  Negative charged surface: 68.0239  Volume: 158.75
  Hydrophobic surface: 299.273  Hydrophilic surface: 59.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.