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


PUBCHEM-ZINC04678267

 MMsINC code: MMs03153685
Type: Neutral
Formula: C24H18FN3
SMILES:   Fc1ccc(cc1)C=1N(c2nc(cn2C=1)-c1ccc(cc1)-c1ccccc1)C
InChI:   InChI=1/C24H18FN3/c1-27-23(20-11-13-21(25)14-12-20)16-28-15-22(26-24(27)28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-16H,1H3

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)=128.468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.427 g/mol  logS: -7.78366  SlogP: 5.7616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00893754  Sterimol/B1: 2.0665  Sterimol/B2: 2.5398  Sterimol/B3: 3.18658
  Sterimol/B4: 6.07718  Sterimol/L: 22.3517 
 
 Surface and Volume Properties
  Accessible surface: 630.922  Positive charged surface: 337.486  Negative charged surface: 283.867  Volume: 358.75
  Hydrophobic surface: 593.471  Hydrophilic surface: 37.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.