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


ACROSORGANICS-ZINC00157012

 MMsINC code: MMs00005531
Type: Neutral
Formula: C7H8ClFN+
SMILES:   Clc1cc(F)c(cc1)C[NH3+]
InChI:   InChI=1/C7H7ClFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2/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)=8.3653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.599 g/mol  logS: -2.05468  SlogP: 1.4874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0588183  Sterimol/B1: 2.61566  Sterimol/B2: 2.80675  Sterimol/B3: 3.04199
  Sterimol/B4: 4.8847  Sterimol/L: 11.0977 
 
 Surface and Volume Properties
  Accessible surface: 325.966  Positive charged surface: 181.051  Negative charged surface: 144.915  Volume: 140.125
  Hydrophobic surface: 252.099  Hydrophilic surface: 73.867
 
 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


MMs00005532
ACROSORGANICS-ZINC00157012