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


PUBCHEM-ZINC05133824

 MMsINC code: MMs03208752
Type: Neutral
Formula: C13H23N
SMILES:   N12CCCCC(CCCC1)=CCCC2
InChI:   InChI=1/C13H23N/c1-4-10-14-11-5-2-8-13(7-1)9-3-6-12-14/h7H,1-6,8-12H2

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)=170.585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.334 g/mol  logS: -1.58303  SlogP: 3.3628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.581088  Sterimol/B1: 3.8274  Sterimol/B2: 4.20086  Sterimol/B3: 4.25939
  Sterimol/B4: 4.26554  Sterimol/L: 9.22053 
 
 Surface and Volume Properties
  Accessible surface: 370.585  Positive charged surface: 302.612  Negative charged surface: 67.9736  Volume: 211.875
  Hydrophobic surface: 355.896  Hydrophilic surface: 14.689
 
 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


MMs03208753
PUBCHEM-ZINC05133824