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


CHEMBRIDGE-ZINC04163695

 MMsINC code: MMs00764130
Type: Neutral
Formula: C19H16F4N2O3
SMILES:   Fc1ccc(cc1)C1NC(=O)NC(O)(C(F)(F)F)C1C(=O)c1ccc(cc1)C
InChI:   InChI=1/C19H16F4N2O3/c1-10-2-4-12(5-3-10)16(26)14-15(11-6-8-13(20)9-7-11)24-17(27)25-18(14,28)19(21,22)23/h2-9,14-15,28H,1H3,(H2,24,25,27)/t14-,15+,18-/m1/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)=57.5777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.34 g/mol  logS: -5.08211  SlogP: 3.75342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215421  Sterimol/B1: 2.89514  Sterimol/B2: 4.6283  Sterimol/B3: 4.7958
  Sterimol/B4: 7.58273  Sterimol/L: 13.8484 
 
 Surface and Volume Properties
  Accessible surface: 553.977  Positive charged surface: 275.71  Negative charged surface: 278.267  Volume: 323.5
  Hydrophobic surface: 348.706  Hydrophilic surface: 205.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.