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


MAYBRIDGE-ZINC00143007

 MMsINC code: MMs02139983
Type: Neutral
Formula: C10H6Cl2N7-
SMILES:   Clc1cc(-n2ncc(-c3nnn[n-]3)c2N)cc(Cl)c1
InChI:   InChI=1/C10H6Cl2N7/c11-5-1-6(12)3-7(2-5)19-9(13)8(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)=53.3037 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: 0.0142384  Sterimol/B1: 2.31795  Sterimol/B2: 2.98024  Sterimol/B3: 3.04643
  Sterimol/B4: 6.19146  Sterimol/L: 14.6037 
 
 Surface and Volume Properties
  Accessible surface: 466.01  Positive charged surface: 138.438  Negative charged surface: 327.572  Volume: 231.625
  Hydrophobic surface: 294.857  Hydrophilic surface: 171.153
 
 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


MMs02139984
MAYBRIDGE-ZINC00143007