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


ASINEX-ZINC02944783

 MMsINC code: MMs00281678
Type: Neutral
Formula: C10H22N2
SMILES:   NCCCN1CCCCC1CC
InChI:   InChI=1/C10H22N2/c1-2-10-6-3-4-8-12(10)9-5-7-11/h10H,2-9,11H2,1H3/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)=14.7895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.3 g/mol  logS: -0.66469  SlogP: 1.5997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137404  Sterimol/B1: 2.22992  Sterimol/B2: 2.52316  Sterimol/B3: 4.09668
  Sterimol/B4: 7.01741  Sterimol/L: 12.1549 
 
 Surface and Volume Properties
  Accessible surface: 406.155  Positive charged surface: 337.967  Negative charged surface: 68.187  Volume: 200
  Hydrophobic surface: 318.84  Hydrophilic surface: 87.315
 
 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


MMs00281679
ASINEX-ZINC02944783