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


CHEMDIV-ZINC03907775

 MMsINC code: MMs00919835
Type: Neutral
Formula: C16H10Cl2N2O3
SMILES:   Clc1cccc(Cl)c1NC(=O)c1noc(c1)-c1ccc(O)cc1
InChI:   InChI=1/C16H10Cl2N2O3/c17-11-2-1-3-12(18)15(11)19-16(22)13-8-14(23-20-13)9-4-6-10(21)7-5-9/h1-8,21H,(H,19,22)

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)=99.6459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.173 g/mol  logS: -5.65595  SlogP: 4.6063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418519  Sterimol/B1: 3.38301  Sterimol/B2: 4.27308  Sterimol/B3: 4.56301
  Sterimol/B4: 4.92879  Sterimol/L: 18.3293 
 
 Surface and Volume Properties
  Accessible surface: 557.299  Positive charged surface: 228.907  Negative charged surface: 328.392  Volume: 289.125
  Hydrophobic surface: 439.547  Hydrophilic surface: 117.752
 
 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.