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


CHEMBLOCK-ZINC00058788

 MMsINC code: MMs00491250
Type: Neutral
Formula: C14H10Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1\C=N\NC(=O)c1ccccc1O
InChI:   InChI=1/C14H10Cl2N2O2/c15-10-6-5-9(12(16)7-10)8-17-18-14(20)11-3-1-2-4-13(11)19/h1-8,19H,(H,18,20)/b17-8+

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)=97.3997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.152 g/mol  logS: -4.64478  SlogP: 3.4629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00121885  Sterimol/B1: 2.14128  Sterimol/B2: 2.19076  Sterimol/B3: 2.53519
  Sterimol/B4: 5.80612  Sterimol/L: 17.6257 
 
 Surface and Volume Properties
  Accessible surface: 515.789  Positive charged surface: 238.108  Negative charged surface: 277.682  Volume: 261.75
  Hydrophobic surface: 413.908  Hydrophilic surface: 101.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.