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


CHEMDIV-ZINC02849458

 MMsINC code: MMs00888349
Type: Neutral
Formula: C24H20N2O5S
SMILES:   S(=O)(=O)(c1c(nn(c1OC(=O)c1ccc(OC)cc1)-c1ccccc1)C)c1ccccc1
InChI:   InChI=1/C24H20N2O5S/c1-17-22(32(28,29)21-11-7-4-8-12-21)23(26(25-17)19-9-5-3-6-10-19)31-24(27)18-13-15-20(30-2)16-14-18/h3-16H,1-2H3

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)=141.802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.499 g/mol  logS: -6.29243  SlogP: 4.24132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163878  Sterimol/B1: 3.08775  Sterimol/B2: 5.38035  Sterimol/B3: 6.65876
  Sterimol/B4: 7.6694  Sterimol/L: 16.2854 
 
 Surface and Volume Properties
  Accessible surface: 680.292  Positive charged surface: 375.109  Negative charged surface: 305.183  Volume: 408
  Hydrophobic surface: 595.499  Hydrophilic surface: 84.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.