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


MAYBRIDGE-ZINC00143018

 MMsINC code: MMs02139986
Type: Neutral
Formula: C10H6Cl2N7-
SMILES:   Clc1cc(Cl)ccc1-n1ncc(-c2nnn[n-]2)c1N
InChI:   InChI=1/C10H6Cl2N7/c11-5-1-2-8(7(12)3-5)19-9(13)6(4-14-19)10-15-17-18-16-10/h1-4H,13H2/q-1

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)=62.629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.113 g/mol  logS: -3.70014  SlogP: 1.5705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299279  Sterimol/B1: 2.097  Sterimol/B2: 2.46666  Sterimol/B3: 3.61652
  Sterimol/B4: 6.14007  Sterimol/L: 15.5495 
 
 Surface and Volume Properties
  Accessible surface: 460.781  Positive charged surface: 149.804  Negative charged surface: 310.977  Volume: 230.25
  Hydrophobic surface: 294.159  Hydrophilic surface: 166.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 4  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


MMs02139987
MAYBRIDGE-ZINC00143018