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


CHEMBLOCK-ZINC01066564

 MMsINC code: MMs00512690
Type: Neutral
Formula: C14H16ClN5O4S
SMILES:   Clc1nc(cc(C)c1S(=O)(=O)NC(=O)Nc1nc(cc(OC)n1)C)C
InChI:   InChI=1/C14H16ClN5O4S/c1-7-5-8(2)16-12(15)11(7)25(22,23)20-14(21)19-13-17-9(3)6-10(18-13)24-4/h5-6H,1-4H3,(H2,17,18,19,20,21)

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)=-17.6153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.832 g/mol  logS: -3.91604  SlogP: 1.96926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146004  Sterimol/B1: 2.19214  Sterimol/B2: 3.46464  Sterimol/B3: 5.59172
  Sterimol/B4: 7.9087  Sterimol/L: 15.4003 
 
 Surface and Volume Properties
  Accessible surface: 580.198  Positive charged surface: 350.26  Negative charged surface: 229.938  Volume: 318.5
  Hydrophobic surface: 418.96  Hydrophilic surface: 161.238
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.