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


NCID-ZINC01588268

 MMsINC code: MMs02243872
Type: Neutral
Formula: C22H14Cl2F6N4O2
SMILES:   Clc1ccc(cc1NC(=O)Nc1cc(NC(=O)Nc2cc(ccc2Cl)C(F)(F)F)ccc1)C(F)
(F)F
InChI:   InChI=1/C22H14Cl2F6N4O2/c23-15-6-4-11(21(25,26)27)8-17(15)33-19(35)31-13-2-1-3-14(10-13)32-20(36)34-18-9-12(22(28,29)30)5-7-16(18)24/h1-10H,(H2,31,33,35)(H2,32,34,36)

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)=128.626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 551.274 g/mol  logS: -8.7009  SlogP: 8.942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252706  Sterimol/B1: 2.38465  Sterimol/B2: 3.26363  Sterimol/B3: 4.08198
  Sterimol/B4: 9.65603  Sterimol/L: 20.2908 
 
 Surface and Volume Properties
  Accessible surface: 754.168  Positive charged surface: 260.485  Negative charged surface: 493.683  Volume: 412
  Hydrophobic surface: 440.103  Hydrophilic surface: 314.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.