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


PUBCHEM-ZINC00397741

 MMsINC code: MMs02674303
Type: Neutral
Formula: C15H13Cl2NO4
SMILES:   Clc1cc(OC)ccc1OC(=O)Nc1ccc(Cl)cc1OC
InChI:   InChI=1/C15H13Cl2NO4/c1-20-10-4-6-13(11(17)8-10)22-15(19)18-12-5-3-9(16)7-14(12)21-2/h3-8H,1-2H3,(H,18,19)

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)=86.2848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.178 g/mol  logS: -4.96546  SlogP: 4.6215  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0658208  Sterimol/B1: 2.30318  Sterimol/B2: 4.65202  Sterimol/B3: 4.95968
  Sterimol/B4: 5.44747  Sterimol/L: 16.8266 
 
 Surface and Volume Properties
  Accessible surface: 561.107  Positive charged surface: 312.463  Negative charged surface: 248.644  Volume: 288.375
  Hydrophobic surface: 500.646  Hydrophilic surface: 60.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.