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


ASINEX-ZINC04183832

 MMsINC code: MMs00315840
Type: Neutral
Formula: C18H15F3N2O4
SMILES:   FC(F)(F)C1(O)NC(=O)NC(C1C(=O)c1ccccc1)c1ccc(O)cc1
InChI:   InChI=1/C18H15F3N2O4/c19-18(20,21)17(27)13(15(25)11-4-2-1-3-5-11)14(22-16(26)23-17)10-6-8-12(24)9-7-10/h1-9,13-14,24,27H,(H2,22,23,26)/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)=58.3686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.322 g/mol  logS: -3.95126  SlogP: 3.0115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25376  Sterimol/B1: 2.45301  Sterimol/B2: 3.26937  Sterimol/B3: 4.77553
  Sterimol/B4: 8.58957  Sterimol/L: 12.5437 
 
 Surface and Volume Properties
  Accessible surface: 534.155  Positive charged surface: 274.193  Negative charged surface: 259.963  Volume: 310.5
  Hydrophobic surface: 277.076  Hydrophilic surface: 257.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.