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


PUBCHEM-ZINC03051516

 MMsINC code: MMs02986588
Type: Neutral
Formula: C14H12Cl3NO2
SMILES:   ClC(Cl)(Cl)C(O)NC(=O)Cc1c2c(ccc1)cccc2
InChI:   InChI=1/C14H12Cl3NO2/c15-14(16,17)13(20)18-12(19)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,13,20H,8H2,(H,18,19)/t13-/m0/s1

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)=72.5205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.614 g/mol  logS: -5.55631  SlogP: 3.60697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0740237  Sterimol/B1: 2.67932  Sterimol/B2: 3.48294  Sterimol/B3: 3.52278
  Sterimol/B4: 7.2112  Sterimol/L: 14.213 
 
 Surface and Volume Properties
  Accessible surface: 519.082  Positive charged surface: 194.446  Negative charged surface: 315.795  Volume: 277.75
  Hydrophobic surface: 289.197  Hydrophilic surface: 229.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.