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


ASINEX-ZINC04384244

 MMsINC code: MMs00328840
Type: Neutral
Formula: C9H15N2+
SMILES:   [NH2+]1CCn2c(ccc2)C1CC
InChI:   InChI=1/C9H14N2/c1-2-8-9-4-3-6-11(9)7-5-10-8/h3-4,6,8,10H,2,5,7H2,1H3/p+1/t8-/m0/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)=5.67475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.233 g/mol  logS: -0.26896  SlogP: 0.8781  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100883  Sterimol/B1: 2.80739  Sterimol/B2: 3.06338  Sterimol/B3: 3.88379
  Sterimol/B4: 5.09923  Sterimol/L: 10.7254 
 
 Surface and Volume Properties
  Accessible surface: 355.364  Positive charged surface: 267.447  Negative charged surface: 87.9167  Volume: 168.875
  Hydrophobic surface: 278.494  Hydrophilic surface: 76.87
 
 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


MMs00328841
ASINEX-ZINC04384244