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


PUBCHEM-ZINC06883666

 MMsINC code: MMs03887868
Type: Ionized
Formula: C10H19N2+
SMILES:   [NH2+](Cc1n(ccc1)C)CC(C)C
InChI:   InChI=1/C10H18N2/c1-9(2)7-11-8-10-5-4-6-12(10)3/h4-6,9,11H,7-8H2,1-3H3/p+1

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)=1.59538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.276 g/mol  logS: -0.32189  SlogP: 1.3701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0899015  Sterimol/B1: 2.92636  Sterimol/B2: 3.13919  Sterimol/B3: 3.52021
  Sterimol/B4: 4.71022  Sterimol/L: 12.6821 
 
 Surface and Volume Properties
  Accessible surface: 420.347  Positive charged surface: 318.959  Negative charged surface: 101.388  Volume: 198.75
  Hydrophobic surface: 336.245  Hydrophilic surface: 84.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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:  
   
Parent related molecule:


MMs03887867
PUBCHEM-ZINC06883666