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


ACROSORGANICS-ZINC01692514

MMsINC code: MMs00011145

Type: Neutral
Formula: C10H9N
SMILES:   n1c2cc(ccc2ccc1)C
InChI:   InChI=1/C10H9N/c1-8-4-5-9-3-2-6-11-10(9)7-8/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)=37.5528 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: 0.0127874  Sterimol/B1: 2.10184  Sterimol/B2: 2.51204  Sterimol/B3: 3.1118
  Sterimol/B4: 4.65079  Sterimol/L: 11.0143 
 
 Surface and Volume Properties
  Accessible surface: 335.874  Positive charged surface: 204.122  Negative charged surface: 126.442  Volume: 153
  Hydrophobic surface: 314.645  Hydrophilic surface: 21.229
 
 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.