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


ASINEX-ZINC04384298

 MMsINC code: MMs00328932
Type: Neutral
Formula: C10H22N2
SMILES:   N(CC1CCCN(C1)C(C)C)C
InChI:   InChI=1/C10H22N2/c1-9(2)12-6-4-5-10(8-12)7-11-3/h9-11H,4-8H2,1-3H3/t10-/m1/s1

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)=19.3111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.3 g/mol  logS: -0.5385  SlogP: 1.3262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0701458  Sterimol/B1: 2.71886  Sterimol/B2: 3.05941  Sterimol/B3: 4.20226
  Sterimol/B4: 4.58689  Sterimol/L: 13.2806 
 
 Surface and Volume Properties
  Accessible surface: 409.31  Positive charged surface: 348.17  Negative charged surface: 61.1403  Volume: 202.125
  Hydrophobic surface: 351.456  Hydrophilic surface: 57.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00328933
ASINEX-ZINC04384298