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


PUBCHEM-ZINC02570819

 MMsINC code: MMs02902664
Type: Neutral
Formula: C20H10Cl2F5N3O3
SMILES:   Clc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Oc1ncc(cc1Cl)C(F)(F)F
InChI:   InChI=1/C20H10Cl2F5N3O3/c21-11-5-4-10(29-19(32)30-17(31)16-13(23)2-1-3-14(16)24)7-15(11)33-18-12(22)6-9(8-28-18)20(25,26)27/h1-8H,(H2,29,30,31,32)

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)=92.9205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 506.214 g/mol  logS: -7.53432  SlogP: 6.7511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468919  Sterimol/B1: 3.51395  Sterimol/B2: 4.10929  Sterimol/B3: 4.66622
  Sterimol/B4: 6.82803  Sterimol/L: 19.7501 
 
 Surface and Volume Properties
  Accessible surface: 712.141  Positive charged surface: 261.883  Negative charged surface: 450.258  Volume: 374.25
  Hydrophobic surface: 512.903  Hydrophilic surface: 199.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.