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


ENAMINE-ZINC03615033

 MMsINC code: MMs01524987
Type: Neutral
Formula: C22H28N2O4S
SMILES:   S(=O)(=O)(N(C)C1CCCCC1)c1cc(ccc1)C(=O)NCc1ccccc1OC
InChI:   InChI=1/C22H28N2O4S/c1-24(19-11-4-3-5-12-19)29(26,27)20-13-8-10-17(15-20)22(25)23-16-18-9-6-7-14-21(18)28-2/h6-10,13-15,19H,3-5,11-12,16H2,1-2H3,(H,23,25)

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)=60.5081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.542 g/mol  logS: -4.73399  SlogP: 3.8448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0696366  Sterimol/B1: 2.01011  Sterimol/B2: 4.14973  Sterimol/B3: 5.94603
  Sterimol/B4: 6.72212  Sterimol/L: 19.545 
 
 Surface and Volume Properties
  Accessible surface: 700.906  Positive charged surface: 469.941  Negative charged surface: 230.965  Volume: 397.625
  Hydrophobic surface: 601.316  Hydrophilic surface: 99.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.