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


PUBCHEM-ZINC01174123

 MMsINC code: MMs02783239
Type: Neutral
Formula: C25H26N2O3S2
SMILES:   S(Cc1ccc(cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1
InChI:   InChI=1/C25H26N2O3S2/c28-25(21-11-9-20(10-12-21)19-31-23-7-3-1-4-8-23)26-22-13-15-24(16-14-22)32(29,30)27-17-5-2-6-18-27/h1,3-4,7-16H,2,5-6,17-19H2,(H,26,28)

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)=89.9074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.626 g/mol  logS: -6.81188  SlogP: 5.6722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0247449  Sterimol/B1: 3.32668  Sterimol/B2: 3.36303  Sterimol/B3: 4.53626
  Sterimol/B4: 4.65969  Sterimol/L: 25.6121 
 
 Surface and Volume Properties
  Accessible surface: 774.072  Positive charged surface: 442.096  Negative charged surface: 331.976  Volume: 433.875
  Hydrophobic surface: 648.158  Hydrophilic surface: 125.914
 
 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.