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


ENAMINE-ZINC03251950

 MMsINC code: MMs01331201
Type: Neutral
Formula: C25H15ClF2N2O4
SMILES:   Clc1cc(C(=O)C=2C=C(C(=O)Nc3ccc(F)cc3)C(=O)N(C=2)c2ccc(F)cc2)
c(O)cc1
InChI:   InChI=1/C25H15ClF2N2O4/c26-15-1-10-22(31)20(12-15)23(32)14-11-21(24(33)29-18-6-2-16(27)3-7-18)25(34)30(13-14)19-8-4-17(28)5-9-19/h1-13,31H,(H,29,33)

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)=138.031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.854 g/mol  logS: -7.48537  SlogP: 5.0023  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0910329  Sterimol/B1: 4.18132  Sterimol/B2: 4.43889  Sterimol/B3: 6.66927
  Sterimol/B4: 9.67359  Sterimol/L: 16.1654 
 
 Surface and Volume Properties
  Accessible surface: 722.87  Positive charged surface: 324.743  Negative charged surface: 398.127  Volume: 402.75
  Hydrophobic surface: 600.446  Hydrophilic surface: 122.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.