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


ASINEX-ZINC04861505

 MMsINC code: MMs00388181
Type: Neutral
Formula: C24H22FN3O2
SMILES:   Fc1ccccc1C(N(C(=O)c1ncccc1)CC=C)C(=O)NCc1ccccc1
InChI:   InChI=1/C24H22FN3O2/c1-2-16-28(24(30)21-14-8-9-15-26-21)22(19-12-6-7-13-20(19)25)23(29)27-17-18-10-4-3-5-11-18/h2-15,22H,1,16-17H2,(H,27,29)/t22-/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)=150.802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.457 g/mol  logS: -4.81938  SlogP: 4.2685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142963  Sterimol/B1: 2.43012  Sterimol/B2: 2.54627  Sterimol/B3: 7.09749
  Sterimol/B4: 9.86822  Sterimol/L: 18.1577 
 
 Surface and Volume Properties
  Accessible surface: 674.344  Positive charged surface: 394.976  Negative charged surface: 279.368  Volume: 389.25
  Hydrophobic surface: 589.91  Hydrophilic surface: 84.434
 
 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.