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


ENAMINE-ZINC03289478

 MMsINC code: MMs01352430
Type: Neutral
Formula: C15H11ClF2N2O4
SMILES:   Clc1ncccc1C(OCC(=O)Nc1ccc(OC(F)F)cc1)=O
InChI:   InChI=1/C15H11ClF2N2O4/c16-13-11(2-1-7-19-13)14(22)23-8-12(21)20-9-3-5-10(6-4-9)24-15(17)18/h1-7,15H,8H2,(H,20,21)

Download   format file 
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)=96.3907 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.712 g/mol  logS: -3.6847  SlogP: 3.5518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0158603  Sterimol/B1: 2.56051  Sterimol/B2: 3.01948  Sterimol/B3: 3.23397
  Sterimol/B4: 6.47504  Sterimol/L: 18.8166 
 
 Surface and Volume Properties
  Accessible surface: 563.279  Positive charged surface: 292.283  Negative charged surface: 270.996  Volume: 285.5
  Hydrophobic surface: 382.117  Hydrophilic surface: 181.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.