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


PUBCHEM-ZINC00613681

 MMsINC code: MMs02713362
Type: Neutral
Formula: C17H11Cl2NO3
SMILES:   Clc1cc(Cl)cc2C=C(C(=O)NCc3ccccc3)C(Oc12)=O
InChI:   InChI=1/C17H11Cl2NO3/c18-12-6-11-7-13(17(22)23-15(11)14(19)8-12)16(21)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21)

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)=56.2949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.185 g/mol  logS: -6.18964  SlogP: 3.8786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435828  Sterimol/B1: 3.60064  Sterimol/B2: 3.75642  Sterimol/B3: 4.38195
  Sterimol/B4: 5.49709  Sterimol/L: 17.7253 
 
 Surface and Volume Properties
  Accessible surface: 566.075  Positive charged surface: 237.925  Negative charged surface: 328.15  Volume: 293.5
  Hydrophobic surface: 471.666  Hydrophilic surface: 94.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.