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


CHEMDIV-ZINC04960455

MMsINC code: MMs00974016

Type: Neutral
Formula: C21H16ClFN2O
SMILES:   Clc1cc(NC2N(Cc3ccccc3)C(=O)c3c2cccc3)ccc1F
InChI:   InChI=1/C21H16ClFN2O/c22-18-12-15(10-11-19(18)23)24-20-16-8-4-5-9-17(16)21(26)25(20)13-14-6-2-1-3-7-14/h1-12,20,24H,13H2/t20-/m0/s1

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)=72.9798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.823 g/mol  logS: -5.81612  SlogP: 5.6077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192081  Sterimol/B1: 2.98966  Sterimol/B2: 3.21902  Sterimol/B3: 5.19922
  Sterimol/B4: 8.44754  Sterimol/L: 13.844 
 
 Surface and Volume Properties
  Accessible surface: 565.937  Positive charged surface: 268.592  Negative charged surface: 297.346  Volume: 332.625
  Hydrophobic surface: 513.35  Hydrophilic surface: 52.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.