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


ENAMINE-ZINC03524215

 MMsINC code: MMs01490834
Type: Neutral
Formula: C24H25N3O4S
SMILES:   S(=O)(=O)(N(CC(=O)NC(c1ccccc1)c1ccccc1)C)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C24H25N3O4S/c1-18(28)25-21-13-15-22(16-14-21)32(30,31)27(2)17-23(29)26-24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,24H,17H2,1-2H3,(H,25,28)(H,26,29)

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)=94.9981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 451.547 g/mol  logS: -5.21626  SlogP: 3.2668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.256104  Sterimol/B1: 2.49085  Sterimol/B2: 5.21661  Sterimol/B3: 5.70326
  Sterimol/B4: 10.5656  Sterimol/L: 15.4 
 
 Surface and Volume Properties
  Accessible surface: 730.373  Positive charged surface: 427.087  Negative charged surface: 303.287  Volume: 423.625
  Hydrophobic surface: 603.884  Hydrophilic surface: 126.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.