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


PUBCHEM-ZINC02037875

 MMsINC code: MMs02862242
Type: Neutral
Formula: C9H19N
SMILES:   N1CCCCCCCCC1
InChI:   InChI=1/C9H19N/c1-2-4-6-8-10-9-7-5-3-1/h10H,1-9H2

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)=52.8244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.258 g/mol  logS: -1.85906  SlogP: 2.3203  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244772  Sterimol/B1: 2.43813  Sterimol/B2: 2.55962  Sterimol/B3: 3.32925
  Sterimol/B4: 6.4521  Sterimol/L: 9.08241 
 
 Surface and Volume Properties
  Accessible surface: 340.371  Positive charged surface: 277.698  Negative charged surface: 62.6729  Volume: 169.625
  Hydrophobic surface: 315.73  Hydrophilic surface: 24.641
 
 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


MMs02862243
PUBCHEM-ZINC02037875