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


ENAMINE-ZINC07141151

 MMsINC code: MMs01722802
Type: Neutral
Formula: C19H16F3N3O2
SMILES:   FC(F)(F)c1ccccc1NC(=O)C=1C(NC(=O)NC=1C)c1ccccc1
InChI:   InChI=1/C19H16F3N3O2/c1-11-15(16(25-18(27)23-11)12-7-3-2-4-8-12)17(26)24-14-10-6-5-9-13(14)19(20,21)22/h2-10,16H,1H3,(H,24,26)(H2,23,25,27)/t16-/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)=57.967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.35 g/mol  logS: -5.16237  SlogP: 4.379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.250338  Sterimol/B1: 2.49433  Sterimol/B2: 4.35974  Sterimol/B3: 4.38734
  Sterimol/B4: 9.17304  Sterimol/L: 14.2819 
 
 Surface and Volume Properties
  Accessible surface: 553.398  Positive charged surface: 268.635  Negative charged surface: 284.763  Volume: 320
  Hydrophobic surface: 365.732  Hydrophilic surface: 187.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.