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


PUBCHEM-ZINC05133825

 MMsINC code: MMs03208754
Type: Neutral
Formula: C13H25N
SMILES:   N12CCCCC(CCCC1)CCCC2
InChI:   InChI=1/C13H25N/c1-4-10-14-11-5-2-8-13(7-1)9-3-6-12-14/h13H,1-12H2

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)=224.42 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.35 g/mol  logS: -2.93217  SlogP: 3.4427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.550864  Sterimol/B1: 2.58012  Sterimol/B2: 3.34882  Sterimol/B3: 4.88608
  Sterimol/B4: 6.02257  Sterimol/L: 9.38232 
 
 Surface and Volume Properties
  Accessible surface: 374.453  Positive charged surface: 319.685  Negative charged surface: 54.7679  Volume: 216.875
  Hydrophobic surface: 366.877  Hydrophilic surface: 7.576
 
 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


MMs03208755
PUBCHEM-ZINC05133825