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


ENAMINE-ZINC04836544

 MMsINC code: MMs01556193
Type: Neutral
Formula: C24H24N2O3S
SMILES:   S(Cc1ccccc1)CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(OCC)cc1
InChI:   InChI=1/C24H24N2O3S/c1-2-29-22-14-12-21(13-15-22)26-24(28)19-8-10-20(11-9-19)25-23(27)17-30-16-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,25,27)(H,26,28)

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)=124.807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.533 g/mol  logS: -6.69433  SlogP: 5.4759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150027  Sterimol/B1: 2.66492  Sterimol/B2: 3.68177  Sterimol/B3: 3.69581
  Sterimol/B4: 6.95981  Sterimol/L: 25.4932 
 
 Surface and Volume Properties
  Accessible surface: 771.107  Positive charged surface: 464.75  Negative charged surface: 306.357  Volume: 406.875
  Hydrophobic surface: 624.219  Hydrophilic surface: 146.888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.