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


PUBCHEM-ZINC01841113

 MMsINC code: MMs02821606
Type: Neutral
Formula: C11H17N
SMILES:   N(CCCCC)c1ccccc1
InChI:   InChI=1/C11H17N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3

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)=24.7545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.264 g/mol  logS: -2.74076  SlogP: 3.2887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0215359  Sterimol/B1: 2.37641  Sterimol/B2: 2.3767  Sterimol/B3: 3.52884
  Sterimol/B4: 4.2977  Sterimol/L: 14.9357 
 
 Surface and Volume Properties
  Accessible surface: 422.548  Positive charged surface: 292.642  Negative charged surface: 129.906  Volume: 191.875
  Hydrophobic surface: 379.056  Hydrophilic surface: 43.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.