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


PUBCHEM-ZINC04346215

 MMsINC code: MMs03115447
Type: Neutral
Formula: C24H20FN3O2
SMILES:   Fc1cc(ccc1)-c1onc(n1)CC(=O)NC(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C24H20FN3O2/c25-20-13-7-12-19(15-20)24-27-22(28-30-24)16-23(29)26-21(18-10-5-2-6-11-18)14-17-8-3-1-4-9-17/h1-13,15,21H,14,16H2,(H,26,29)/t21-/m1/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)=96.7305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.441 g/mol  logS: -7.28358  SlogP: 4.61384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.098932  Sterimol/B1: 2.49404  Sterimol/B2: 4.08037  Sterimol/B3: 4.25467
  Sterimol/B4: 11.4404  Sterimol/L: 16.3804 
 
 Surface and Volume Properties
  Accessible surface: 696.833  Positive charged surface: 366.369  Negative charged surface: 330.464  Volume: 381.625
  Hydrophobic surface: 618.979  Hydrophilic surface: 77.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.