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


ASINEX-ZINC02495727

 MMsINC code: MMs00273455
Type: Neutral
Formula: C10H17N2+
SMILES:   [NH2+]1CCn2c(ccc2)C1CCC
InChI:   InChI=1/C10H16N2/c1-2-4-9-10-5-3-7-12(10)8-6-11-9/h3,5,7,9,11H,2,4,6,8H2,1H3/p+1/t9-/m1/s1

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)=5.51488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.26 g/mol  logS: -0.78418  SlogP: 1.2682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825581  Sterimol/B1: 2.58476  Sterimol/B2: 3.44399  Sterimol/B3: 4.24824
  Sterimol/B4: 5.10883  Sterimol/L: 12.0386 
 
 Surface and Volume Properties
  Accessible surface: 389.057  Positive charged surface: 295.168  Negative charged surface: 93.8888  Volume: 186.375
  Hydrophobic surface: 310.571  Hydrophilic surface: 78.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs00273456
ASINEX-ZINC02495727