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


ASINEX-ZINC01351399

 MMsINC code: MMs00243069
Type: Neutral
Formula: C19H16F3N3O2
SMILES:   FC(F)(F)c1ccc(cc1)CNC(=O)CN1N=C(c2c(cccc2)C1=O)C
InChI:   InChI=1/C19H16F3N3O2/c1-12-15-4-2-3-5-16(15)18(27)25(24-12)11-17(26)23-10-13-6-8-14(9-7-13)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)

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)=98.5722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.35 g/mol  logS: -5.08984  SlogP: 3.7795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264703  Sterimol/B1: 2.18525  Sterimol/B2: 3.24954  Sterimol/B3: 3.25772
  Sterimol/B4: 7.44172  Sterimol/L: 19.5814 
 
 Surface and Volume Properties
  Accessible surface: 614.673  Positive charged surface: 311.095  Negative charged surface: 303.578  Volume: 324.625
  Hydrophobic surface: 411.377  Hydrophilic surface: 203.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.