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


PUBCHEM-ZINC04239102

 MMsINC code: MMs03106634
Type: Neutral
Formula: C19H13F2N5O
SMILES:   Fc1cc(cc(F)c1)C1=Nc2c(nc(nc2)Nc2ccccc2)N(C)C1=O
InChI:   InChI=1/C19H13F2N5O/c1-26-17-15(10-22-19(25-17)23-14-5-3-2-4-6-14)24-16(18(26)27)11-7-12(20)9-13(21)8-11/h2-10H,1H3,(H,22,23,25)

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)=82.1945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.343 g/mol  logS: -5.8795  SlogP: 3.5956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0157374  Sterimol/B1: 2.01653  Sterimol/B2: 2.12027  Sterimol/B3: 3.28698
  Sterimol/B4: 8.43426  Sterimol/L: 18.2785 
 
 Surface and Volume Properties
  Accessible surface: 587.498  Positive charged surface: 356.413  Negative charged surface: 231.085  Volume: 315.75
  Hydrophobic surface: 501.472  Hydrophilic surface: 86.026
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.