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


CHEMDIV-ZINC01196712

 MMsINC code: MMs00863994
Type: Neutral
Formula: C25H24N2O5S
SMILES:   S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)Nc1ccc(cc1C(=O)c1ccccc1)C
InChI:   InChI=1/C25H24N2O5S/c1-18-7-12-23(22(17-18)24(28)19-5-3-2-4-6-19)26-25(29)20-8-10-21(11-9-20)33(30,31)27-13-15-32-16-14-27/h2-12,17H,13-16H2,1H3,(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)=134.541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.542 g/mol  logS: -6.10664  SlogP: 3.49922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073917  Sterimol/B1: 2.58874  Sterimol/B2: 3.70515  Sterimol/B3: 4.932
  Sterimol/B4: 9.71865  Sterimol/L: 18.804 
 
 Surface and Volume Properties
  Accessible surface: 737.772  Positive charged surface: 433.793  Negative charged surface: 303.978  Volume: 424.75
  Hydrophobic surface: 612.213  Hydrophilic surface: 125.559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.