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


PUBCHEM-ZINC06884901

 MMsINC code: MMs03889265
Type: Neutral
Formula: C18H12Cl2N2O3
SMILES:   Clc1ccc(Cl)cc1-c1oc(cc1)C(=O)NNC(=O)c1ccccc1
InChI:   InChI=1/C18H12Cl2N2O3/c19-12-6-7-14(20)13(10-12)15-8-9-16(25-15)18(24)22-21-17(23)11-4-2-1-3-5-11/h1-10H,(H,21,23)(H,22,24)

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)=87.553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.211 g/mol  logS: -7.19873  SlogP: 4.3282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0176646  Sterimol/B1: 3.75645  Sterimol/B2: 3.83271  Sterimol/B3: 5.08064
  Sterimol/B4: 5.70069  Sterimol/L: 18.7605 
 
 Surface and Volume Properties
  Accessible surface: 612.533  Positive charged surface: 256.7  Negative charged surface: 355.833  Volume: 318.375
  Hydrophobic surface: 507.754  Hydrophilic surface: 104.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.