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


CHEMDIV-ZINC04881173

 MMsINC code: MMs00960320
Type: Neutral
Formula: C18H14Cl2N2O4
SMILES:   Clc1cc(ccc1Cl)-c1onc(c1)C(=O)Nc1ccc(OC)cc1OC
InChI:   InChI=1/C18H14Cl2N2O4/c1-24-11-4-6-14(17(8-11)25-2)21-18(23)15-9-16(26-22-15)10-3-5-12(19)13(20)7-10/h3-9H,1-2H3,(H,21,23)

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)=114.191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.226 g/mol  logS: -6.11866  SlogP: 4.9179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00954131  Sterimol/B1: 2.46275  Sterimol/B2: 2.53876  Sterimol/B3: 3.20266
  Sterimol/B4: 8.33673  Sterimol/L: 20.5167 
 
 Surface and Volume Properties
  Accessible surface: 632.43  Positive charged surface: 338.173  Negative charged surface: 294.257  Volume: 331.875
  Hydrophobic surface: 543.383  Hydrophilic surface: 89.047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.