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


PUBCHEM-ZINC00376984

 MMsINC code: MMs02667304
Type: Neutral
Formula: C11H8Cl3N3O3
SMILES:   Clc1cc(Cl)c(Cl)cc1Oc1nc(OC)nc(OC)n1
InChI:   InChI=1/C11H8Cl3N3O3/c1-18-9-15-10(19-2)17-11(16-9)20-8-4-6(13)5(12)3-7(8)14/h3-4H,1-2H3

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)=3.41929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.562 g/mol  logS: -6.34176  SlogP: 3.6413  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.09965  Sterimol/B1: 2.56726  Sterimol/B2: 4.53371  Sterimol/B3: 4.66138
  Sterimol/B4: 6.48209  Sterimol/L: 15.1192 
 
 Surface and Volume Properties
  Accessible surface: 516.516  Positive charged surface: 254.604  Negative charged surface: 261.911  Volume: 259.25
  Hydrophobic surface: 435.443  Hydrophilic surface: 81.073
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.