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


PUBCHEM-ZINC00694823

 MMsINC code: MMs02729739
Type: Neutral
Formula: C24H26FN5O
SMILES:   Fc1cc(ccc1)Cc1c(nc(nc1N1CCN(CC1)C(=O)Nc1ccccc1)C)C
InChI:   InChI=1/C24H26FN5O/c1-17-22(16-19-7-6-8-20(25)15-19)23(27-18(2)26-17)29-11-13-30(14-12-29)24(31)28-21-9-4-3-5-10-21/h3-10,15H,11-14,16H2,1-2H3,(H,28,31)

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)=127.623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.504 g/mol  logS: -4.8105  SlogP: 4.17741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675338  Sterimol/B1: 2.82337  Sterimol/B2: 5.01336  Sterimol/B3: 5.28032
  Sterimol/B4: 7.3108  Sterimol/L: 18.7436 
 
 Surface and Volume Properties
  Accessible surface: 697.199  Positive charged surface: 443.936  Negative charged surface: 253.263  Volume: 404
  Hydrophobic surface: 630.059  Hydrophilic surface: 67.14
 
 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.