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


NCID-ZINC01616101

 MMsINC code: MMs02265669
Type: Neutral
Formula: C24H19ClN6O2S
SMILES:   Clc1cc2nc3ncccc3c(Nc3ccc(S(=O)(=O)Nc4nc(cc(n4)C)C)cc3)c2cc1
InChI:   InChI=1/C24H19ClN6O2S/c1-14-12-15(2)28-24(27-14)31-34(32,33)18-8-6-17(7-9-18)29-22-19-10-5-16(25)13-21(19)30-23-20(22)4-3-11-26-23/h3-13H,1-2H3,(H,26,29,30)(H,27,28,31)

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)=66.2053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.975 g/mol  logS: -8.41941  SlogP: 5.38764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148732  Sterimol/B1: 2.98117  Sterimol/B2: 5.31558  Sterimol/B3: 6.52141
  Sterimol/B4: 7.78794  Sterimol/L: 18.1101 
 
 Surface and Volume Properties
  Accessible surface: 711.852  Positive charged surface: 371.662  Negative charged surface: 333.462  Volume: 425.5
  Hydrophobic surface: 540.439  Hydrophilic surface: 171.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.