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


CHEMDIV-ZINC04920710

 MMsINC code: MMs00967648
Type: Neutral
Formula: C19H18FN3O2
SMILES:   Fc1cc(NC(=O)CCc2onc(n2)-c2ccc(cc2)C)ccc1C
InChI:   InChI=1/C19H18FN3O2/c1-12-3-6-14(7-4-12)19-22-18(25-23-19)10-9-17(24)21-15-8-5-13(2)16(20)11-15/h3-8,11H,9-10H2,1-2H3,(H,21,24)

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)=78.4967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.37 g/mol  logS: -6.02648  SlogP: 4.06381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0274  Sterimol/B1: 2.94261  Sterimol/B2: 2.94519  Sterimol/B3: 4.14928
  Sterimol/B4: 5.07278  Sterimol/L: 21.6888 
 
 Surface and Volume Properties
  Accessible surface: 625.825  Positive charged surface: 363.783  Negative charged surface: 262.042  Volume: 319.375
  Hydrophobic surface: 534.632  Hydrophilic surface: 91.193
 
 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.