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


IBS-ZINC05351281

 MMsINC code: MMs01943814
Type: Ionized
Formula: C24H18FN2O3-
SMILES:   Fc1ccccc1C1N(C(=O)C(Nc2ccccc2)=C1CC(=O)[O-])c1ccccc1
InChI:   InChI=1/C24H19FN2O3/c25-20-14-8-7-13-18(20)23-19(15-21(28)29)22(26-16-9-3-1-4-10-16)24(30)27(23)17-11-5-2-6-12-17/h1-14,23,26H,15H2,(H,28,29)/p-1/t23-/m0/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)=78.2055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.417 g/mol  logS: -6.00267  SlogP: 3.5153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172799  Sterimol/B1: 4.29414  Sterimol/B2: 5.18701  Sterimol/B3: 5.61952
  Sterimol/B4: 7.21049  Sterimol/L: 15.132 
 
 Surface and Volume Properties
  Accessible surface: 633.454  Positive charged surface: 319.574  Negative charged surface: 313.879  Volume: 372.375
  Hydrophobic surface: 538.46  Hydrophilic surface: 94.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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:  
   
Parent related molecule:


MMs01943813
IBS-ZINC05351281