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


PUBCHEM-ZINC05964845

 MMsINC code: MMs03465230
Type: Ionized
Formula: C10H22N+
SMILES:   [NH2+]1CCC(CC1)C(CC)CC
InChI:   InChI=1/C10H21N/c1-3-9(4-2)10-5-7-11-8-6-10/h9-11H,3-8H2,1-2H3/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)=13.9475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.293 g/mol  logS: -2.66334  SlogP: 1.396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137725  Sterimol/B1: 2.37451  Sterimol/B2: 2.87042  Sterimol/B3: 3.37809
  Sterimol/B4: 5.68129  Sterimol/L: 10.9983 
 
 Surface and Volume Properties
  Accessible surface: 384.241  Positive charged surface: 329.919  Negative charged surface: 54.3218  Volume: 194.625
  Hydrophobic surface: 289.29  Hydrophilic surface: 94.951
 
 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:


MMs03465229
PUBCHEM-ZINC05964845