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


NCID-ZINC00247507

 MMsINC code: MMs02213841
Type: Neutral
Formula: C7H6Cl3NO3
SMILES:   ClC(Cl)(Cl)C(O)NC(=O)c1occc1
InChI:   InChI=1/C7H6Cl3NO3/c8-7(9,10)6(13)11-5(12)4-2-1-3-14-4/h1-3,6,13H,(H,11,12)/t6-/m1/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)=30.8288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.488 g/mol  logS: -3.36853  SlogP: 2.1179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0785929  Sterimol/B1: 3.37082  Sterimol/B2: 3.69697  Sterimol/B3: 4.1267
  Sterimol/B4: 4.26013  Sterimol/L: 13.1885 
 
 Surface and Volume Properties
  Accessible surface: 410.803  Positive charged surface: 116.869  Negative charged surface: 293.933  Volume: 189.625
  Hydrophobic surface: 159.283  Hydrophilic surface: 251.52
 
 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.