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


ACROSORGANICS-ZINC02510232

 MMsINC code: MMs00013744
Type: Neutral
Formula: C8H10ClFN+
SMILES:   Clc1cccc(F)c1CC[NH3+]
InChI:   InChI=1/C8H9ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2/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)=20.3932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.626 g/mol  logS: -2.11615  SlogP: 1.26347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0730768  Sterimol/B1: 2.44936  Sterimol/B2: 3.07169  Sterimol/B3: 3.79028
  Sterimol/B4: 4.8545  Sterimol/L: 11.0038 
 
 Surface and Volume Properties
  Accessible surface: 354.433  Positive charged surface: 206.485  Negative charged surface: 147.948  Volume: 158
  Hydrophobic surface: 274.74  Hydrophilic surface: 79.693
 
 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


MMs00013745
ACROSORGANICS-ZINC02510232