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


PUBCHEM-ZINC02856809

 MMsINC code: MMs02941488
Type: Neutral
Formula: C27H24N2O3S2
SMILES:   S(C)c1ccccc1NC(=O)c1ccc(cc1)CN(S(=O)(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C27H24N2O3S2/c1-33-26-15-9-8-14-25(26)28-27(30)22-18-16-21(17-19-22)20-29(23-10-4-2-5-11-23)34(31,32)24-12-6-3-7-13-24/h2-19H,20H2,1H3,(H,28,30)

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)=124.616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.632 g/mol  logS: -7.88159  SlogP: 6.3227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611716  Sterimol/B1: 2.42205  Sterimol/B2: 2.9878  Sterimol/B3: 5.27072
  Sterimol/B4: 9.21348  Sterimol/L: 20.7779 
 
 Surface and Volume Properties
  Accessible surface: 757.467  Positive charged surface: 398.112  Negative charged surface: 359.355  Volume: 455.375
  Hydrophobic surface: 648.381  Hydrophilic surface: 109.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.