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


CHEMBRIDGE-ZINC00941768

 MMsINC code: MMs00646388
Type: Neutral
Formula: C23H16F2N2O3
SMILES:   Fc1cc(F)ccc1NC(=O)C(N1C(=O)c2c(cccc2)C1=O)Cc1ccccc1
InChI:   InChI=1/C23H16F2N2O3/c24-15-10-11-19(18(25)13-15)26-21(28)20(12-14-6-2-1-3-7-14)27-22(29)16-8-4-5-9-17(16)23(27)30/h1-11,13,20H,12H2,(H,26,28)/t20-/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)=93.6339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.388 g/mol  logS: -6.35049  SlogP: 3.81077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0813841  Sterimol/B1: 2.85747  Sterimol/B2: 3.62324  Sterimol/B3: 4.20923
  Sterimol/B4: 9.75192  Sterimol/L: 15.7839 
 
 Surface and Volume Properties
  Accessible surface: 630.344  Positive charged surface: 301.983  Negative charged surface: 328.361  Volume: 361.25
  Hydrophobic surface: 550.972  Hydrophilic surface: 79.372
 
 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.