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


APOLLO-ZINC00160569

 MMsINC code: MMs00045870
Type: Neutral
Formula: C8H11ClN+
SMILES:   Clc1cc(ccc1C)C[NH3+]
InChI:   InChI=1/C8H10ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3/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)=19.493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.636 g/mol  logS: -1.92017  SlogP: 1.65672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714308  Sterimol/B1: 2.44713  Sterimol/B2: 2.8393  Sterimol/B3: 3.58964
  Sterimol/B4: 4.82726  Sterimol/L: 10.8176 
 
 Surface and Volume Properties
  Accessible surface: 350.168  Positive charged surface: 219.155  Negative charged surface: 131.013  Volume: 157.125
  Hydrophobic surface: 271.557  Hydrophilic surface: 78.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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


MMs00045871
APOLLO-ZINC00160569