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


PUBCHEM-ZINC06525339

 MMsINC code: MMs03783301
Type: Neutral
Formula: C14H10ClF3N2O2
SMILES:   Clc1c2OC(=CC3(NC(=O)Nc(c23)cc1)C(F)(F)F)C1CC1
InChI:   InChI=1/C14H10ClF3N2O2/c15-7-3-4-8-10-11(7)22-9(6-1-2-6)5-13(10,14(16,17)18)20-12(21)19-8/h3-6H,1-2H2,(H2,19,20,21)/t13-/m0/s1

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)=56.7664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.693 g/mol  logS: -4.76753  SlogP: 4.6504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137773  Sterimol/B1: 2.93457  Sterimol/B2: 3.7881  Sterimol/B3: 4.01969
  Sterimol/B4: 6.4375  Sterimol/L: 12.0065 
 
 Surface and Volume Properties
  Accessible surface: 468.62  Positive charged surface: 206.203  Negative charged surface: 262.417  Volume: 255.375
  Hydrophobic surface: 251.133  Hydrophilic surface: 217.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.