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


PUBCHEM-ZINC02868642

 MMsINC code: MMs02947661
Type: Neutral
Formula: C23H28N2O3S
SMILES:   S(=O)(=O)(N1CCC(CC1)(C(=O)NC1CCCC1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H28N2O3S/c26-22(24-20-11-7-8-12-20)23(19-9-3-1-4-10-19)15-17-25(18-16-23)29(27,28)21-13-5-2-6-14-21/h1-6,9-10,13-14,20H,7-8,11-12,15-18H2,(H,24,26)

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)=74.4274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.554 g/mol  logS: -4.5578  SlogP: 3.4679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143214  Sterimol/B1: 2.52268  Sterimol/B2: 3.89658  Sterimol/B3: 4.34583
  Sterimol/B4: 9.84158  Sterimol/L: 16.7258 
 
 Surface and Volume Properties
  Accessible surface: 655.767  Positive charged surface: 408.732  Negative charged surface: 247.035  Volume: 394
  Hydrophobic surface: 584.014  Hydrophilic surface: 71.753
 
 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.