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


ASINEX-ZINC04269839

 MMsINC code: MMs00322294
Type: Neutral
Formula: C19H15F3N2O5
SMILES:   FC(F)(F)C1(O)NC(=O)NC(C1C(=O)c1ccccc1)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C19H15F3N2O5/c20-19(21,22)18(29)13(15(25)11-4-2-1-3-5-11)14(23-17(28)24-18)10-6-8-12(9-7-10)16(26)27/h1-9,13-14,29H,(H,26,27)(H2,23,24,28)/t13-,14-,18+/m0/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)=69.9302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.332 g/mol  logS: -4.28261  SlogP: 3.0041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230643  Sterimol/B1: 2.3413  Sterimol/B2: 3.74162  Sterimol/B3: 4.2991
  Sterimol/B4: 8.26614  Sterimol/L: 14.2735 
 
 Surface and Volume Properties
  Accessible surface: 560.461  Positive charged surface: 282.467  Negative charged surface: 277.993  Volume: 325.75
  Hydrophobic surface: 263.215  Hydrophilic surface: 297.246
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs00322295
ASINEX-ZINC04269839