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


CHEMDIV-ZINC06818412

 MMsINC code: MMs01041924
Type: Neutral
Formula: C18H18N4O3S2
SMILES:   s1c(nnc1S(=O)(=O)N(Cc1ccccc1)C)NC(=O)c1ccccc1C
InChI:   InChI=1/C18H18N4O3S2/c1-13-8-6-7-11-15(13)16(23)19-17-20-21-18(26-17)27(24,25)22(2)12-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H,19,20,23)

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)=89.6233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.499 g/mol  logS: -6.0502  SlogP: 3.18592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0871474  Sterimol/B1: 2.52568  Sterimol/B2: 3.77725  Sterimol/B3: 5.53049
  Sterimol/B4: 6.87733  Sterimol/L: 16.7763 
 
 Surface and Volume Properties
  Accessible surface: 614.876  Positive charged surface: 335.353  Negative charged surface: 279.523  Volume: 350.375
  Hydrophobic surface: 490.04  Hydrophilic surface: 124.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.