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


IFLAB-ZINC00715239

 MMsINC code: MMs01980205
Type: Neutral
Formula: C18H14F4N2O3
SMILES:   Fc1cc(ccc1)C1NC(=O)NC(O)(C(F)(F)F)C1C(=O)c1ccccc1
InChI:   InChI=1/C18H14F4N2O3/c19-12-8-4-7-11(9-12)14-13(15(25)10-5-2-1-3-6-10)17(27,18(20,21)22)24-16(26)23-14/h1-9,13-14,27H,(H2,23,24,26)/t13-,14+,17-/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)=54.2066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.313 g/mol  logS: -4.60819  SlogP: 3.445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278814  Sterimol/B1: 2.38348  Sterimol/B2: 3.26405  Sterimol/B3: 4.79886
  Sterimol/B4: 7.90801  Sterimol/L: 11.8725 
 
 Surface and Volume Properties
  Accessible surface: 524.585  Positive charged surface: 245.314  Negative charged surface: 279.271  Volume: 306.75
  Hydrophobic surface: 319.426  Hydrophilic surface: 205.159
 
 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.