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


ACROSORGANICS-ZINC01692478

MMsINC code: MMs00011135

Type: Neutral
Formula: C10H9N
SMILES:   n1c2c(cc(cc2)C)ccc1
InChI:   InChI=1/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3

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)=37.5161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.189 g/mol  logS: -2.44734  SlogP: 2.54322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131569  Sterimol/B1: 2.10327  Sterimol/B2: 2.5122  Sterimol/B3: 3.27424
  Sterimol/B4: 4.97329  Sterimol/L: 10.8959 
 
 Surface and Volume Properties
  Accessible surface: 335.551  Positive charged surface: 202.695  Negative charged surface: 127.546  Volume: 153.25
  Hydrophobic surface: 314.466  Hydrophilic surface: 21.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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: no related molecules available.