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


CHEMDIV-ZINC00425700

 MMsINC code: MMs00851235
Type: Neutral
Formula: C15H10Cl2N2O3
SMILES:   Clc1cc(ccc1Cl)-c1onc(c1)C(=O)NCc1occc1
InChI:   InChI=1/C15H10Cl2N2O3/c16-11-4-3-9(6-12(11)17)14-7-13(19-22-14)15(20)18-8-10-2-1-5-21-10/h1-7H,8H2,(H,18,20)

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)=57.1007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.162 g/mol  logS: -5.71351  SlogP: 4.4378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0180431  Sterimol/B1: 2.95476  Sterimol/B2: 2.98762  Sterimol/B3: 3.49956
  Sterimol/B4: 5.4001  Sterimol/L: 18.8522 
 
 Surface and Volume Properties
  Accessible surface: 559.465  Positive charged surface: 218.915  Negative charged surface: 340.55  Volume: 281.75
  Hydrophobic surface: 456.82  Hydrophilic surface: 102.645
 
 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.