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


CHEMDIV-ZINC04791862

 MMsINC code: MMs00956421
Type: Neutral
Formula: C23H18FN3O3
SMILES:   Fc1ccc(NC(=O)c2cc3NC(=O)N(CCc4ccccc4)C(=O)c3cc2)cc1
InChI:   InChI=1/C23H18FN3O3/c24-17-7-9-18(10-8-17)25-21(28)16-6-11-19-20(14-16)26-23(30)27(22(19)29)13-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,28)(H,26,30)

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)=69.4888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.413 g/mol  logS: -5.92625  SlogP: 4.30837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.011213  Sterimol/B1: 2.63205  Sterimol/B2: 3.12052  Sterimol/B3: 3.56283
  Sterimol/B4: 4.75132  Sterimol/L: 23.0555 
 
 Surface and Volume Properties
  Accessible surface: 663.476  Positive charged surface: 351.205  Negative charged surface: 312.271  Volume: 365.25
  Hydrophobic surface: 541.144  Hydrophilic surface: 122.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.