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


NCID-ZINC01683986

 MMsINC code: MMs02317509
Type: Tautomer
Formula: C11H10ClN7S2
SMILES:   Clc1nc(SCC)nc(Sc2nc(nc3[nH]cnc23)N)c1
InChI:   InChI=1/C11H10ClN7S2/c1-2-20-11-16-5(12)3-6(17-11)21-9-7-8(15-4-14-7)18-10(13)19-9/h3-4H,2H2,1H3,(H3,13,14,15,18,19)

Download   format file 
Drug Similarity  |  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)=-0.59329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.835 g/mol  logS: -7.1611  SlogP: 2.6417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00748902  Sterimol/B1: 2.37495  Sterimol/B2: 2.37618  Sterimol/B3: 2.89962
  Sterimol/B4: 8.25458  Sterimol/L: 15.904 
 
 Surface and Volume Properties
  Accessible surface: 533.851  Positive charged surface: 318.936  Negative charged surface: 214.915  Volume: 276.625
  Hydrophobic surface: 277.267  Hydrophilic surface: 256.584
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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:  
   
Parent related molecule:


MMs02317508
NCID-ZINC01683986