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


PUBCHEM-ZINC06452968

 MMsINC code: MMs03741598
Type: Neutral
Formula: C20H18ClFN2O
SMILES:   Clc1cccc(F)c1C(=O)NCc1cc2c3CCCCc3[nH]c2cc1
InChI:   InChI=1/C20H18ClFN2O/c21-15-5-3-6-16(22)19(15)20(25)23-11-12-8-9-18-14(10-12)13-4-1-2-7-17(13)24-18/h3,5-6,8-10,24H,1-2,4,7,11H2,(H,23,25)

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)=48.0782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.828 g/mol  logS: -5.70689  SlogP: 5.03554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722046  Sterimol/B1: 2.20217  Sterimol/B2: 3.32733  Sterimol/B3: 5.4198
  Sterimol/B4: 6.6552  Sterimol/L: 16.8901 
 
 Surface and Volume Properties
  Accessible surface: 606.416  Positive charged surface: 347.874  Negative charged surface: 252.949  Volume: 326.75
  Hydrophobic surface: 532.792  Hydrophilic surface: 73.624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.