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


ENAMINE-ZINC03355548

 MMsINC code: MMs01392456
Type: Neutral
Formula: C24H26N2O3S2
SMILES:   s1c(ccc1S(=O)(=O)N1CCCCC1)CC(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H26N2O3S2/c27-22(25-24(19-10-4-1-5-11-19)20-12-6-2-7-13-20)18-21-14-15-23(30-21)31(28,29)26-16-8-3-9-17-26/h1-2,4-7,10-15,24H,3,8-9,16-18H2,(H,25,27)

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)=76.0963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.615 g/mol  logS: -5.91392  SlogP: 4.46647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494909  Sterimol/B1: 2.18173  Sterimol/B2: 3.56741  Sterimol/B3: 4.38356
  Sterimol/B4: 9.24852  Sterimol/L: 20.2955 
 
 Surface and Volume Properties
  Accessible surface: 745.452  Positive charged surface: 428.23  Negative charged surface: 317.222  Volume: 424.125
  Hydrophobic surface: 663.863  Hydrophilic surface: 81.589
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.