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


ACROSORGANICS-ZINC00152701

 MMsINC code: MMs00004648
Type: Neutral
Formula: C6H6ClFN2
SMILES:   Clc1cc(N)c(N)cc1F
InChI:   InChI=1/C6H6ClFN2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

Download   format file 
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)=40.1436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.579 g/mol  logS: -1.85591  SlogP: 1.6435  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.64436e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09856  Sterimol/B3: 2.5627
  Sterimol/B4: 5.33094  Sterimol/L: 9.45936 
 
 Surface and Volume Properties
  Accessible surface: 307.786  Positive charged surface: 151.469  Negative charged surface: 156.317  Volume: 131.375
  Hydrophobic surface: 200.634  Hydrophilic surface: 107.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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.