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


NCID-ZINC01683326

 MMsINC code: MMs02316932
Type: Neutral
Formula: C11H23N3
SMILES:   N(CCCCCCNCCC#N)(C)C
InChI:   InChI=1/C11H23N3/c1-14(2)11-6-4-3-5-9-13-10-7-8-12/h13H,3-7,9-11H2,1-2H3

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)=11.2967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.326 g/mol  logS: -0.32174  SlogP: 1.61168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279385  Sterimol/B1: 2.35676  Sterimol/B2: 2.63926  Sterimol/B3: 3.20504
  Sterimol/B4: 4.17035  Sterimol/L: 18.7552 
 
 Surface and Volume Properties
  Accessible surface: 500.619  Positive charged surface: 431.276  Negative charged surface: 69.3426  Volume: 234
  Hydrophobic surface: 397.081  Hydrophilic surface: 103.538
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02316933
NCID-ZINC01683326