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


IFLAB-ZINC00629417

 MMsINC code: MMs01979432
Type: Neutral
Formula: C24H25NO4S2
SMILES:   S1CCN(S(=O)(=O)c2cc(C)c(OC)cc2)C1c1cc(OCc2ccccc2)ccc1
InChI:   InChI=1/C24H25NO4S2/c1-18-15-22(11-12-23(18)28-2)31(26,27)25-13-14-30-24(25)20-9-6-10-21(16-20)29-17-19-7-4-3-5-8-19/h3-12,15-16,24H,13-14,17H2,1-2H3/t24-/m1/s1

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)=103.049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 455.599 g/mol  logS: -6.11692  SlogP: 5.38082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0801607  Sterimol/B1: 3.83268  Sterimol/B2: 4.13528  Sterimol/B3: 4.26292
  Sterimol/B4: 9.60288  Sterimol/L: 16.8827 
 
 Surface and Volume Properties
  Accessible surface: 688.082  Positive charged surface: 418.863  Negative charged surface: 269.219  Volume: 417.75
  Hydrophobic surface: 578.159  Hydrophilic surface: 109.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.