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


ACROSORGANICS-ZINC00001944

 MMsINC code: MMs00002670
Type: Neutral
Formula: C6H9N2+
SMILES:   [NH3+]Cc1cccnc1
InChI:   InChI=1/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2/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)=14.8464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 109.152 g/mol  logS: 0.23273  SlogP: 0.0899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10239  Sterimol/B1: 2.57161  Sterimol/B2: 2.60755  Sterimol/B3: 2.85057
  Sterimol/B4: 4.70447  Sterimol/L: 9.7792 
 
 Surface and Volume Properties
  Accessible surface: 292.455  Positive charged surface: 238.346  Negative charged surface: 54.109  Volume: 118.75
  Hydrophobic surface: 194.781  Hydrophilic surface: 97.674
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:  
   

Ions/Tautomers related molecules


MMs00002671
ACROSORGANICS-ZINC00001944