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


ENAMINE-ZINC03430488

 MMsINC code: MMs01437212
Type: Neutral
Formula: C13H10ClFN2O3
SMILES:   Clc1cccc(F)c1CC(=O)NNC(=O)c1occc1
InChI:   InChI=1/C13H10ClFN2O3/c14-9-3-1-4-10(15)8(9)7-12(18)16-17-13(19)11-5-2-6-20-11/h1-6H,7H2,(H,16,18)(H,17,19)

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)=56.3768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.685 g/mol  logS: -4.42571  SlogP: 2.07577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.05716  Sterimol/B1: 3.15089  Sterimol/B2: 3.90812  Sterimol/B3: 4.69686
  Sterimol/B4: 4.92927  Sterimol/L: 16.5397 
 
 Surface and Volume Properties
  Accessible surface: 504.5  Positive charged surface: 223.849  Negative charged surface: 280.651  Volume: 246.75
  Hydrophobic surface: 396.921  Hydrophilic surface: 107.579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.