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


PUBCHEM-ZINC01979308

 MMsINC code: MMs02836872
Type: Neutral
Formula: C17H11Cl3N2O3
SMILES:   ClC1=C(Nc2cc(Cl)ccc2O)C(=O)N(C1=O)c1cc(Cl)c(cc1)C
InChI:   InChI=1/C17H11Cl3N2O3/c1-8-2-4-10(7-11(8)19)22-16(24)14(20)15(17(22)25)21-12-6-9(18)3-5-13(12)23/h2-7,21,23H,1H3

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)=98.6724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.645 g/mol  logS: -6.27723  SlogP: 4.55202  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0511491  Sterimol/B1: 3.26933  Sterimol/B2: 3.71291  Sterimol/B3: 4.58269
  Sterimol/B4: 7.19023  Sterimol/L: 15.9428 
 
 Surface and Volume Properties
  Accessible surface: 585.648  Positive charged surface: 224.85  Negative charged surface: 360.797  Volume: 317.75
  Hydrophobic surface: 469.774  Hydrophilic surface: 115.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.