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


PUBCHEM-ZINC01121913

 MMsINC code: MMs02774536
Type: Neutral
Formula: C24H24N2O6S
SMILES:   S(=O)(=O)(N(C(C(=O)Nc1ccccc1C(OC)=O)C)c1ccc(Oc2ccccc2)cc1)C
InChI:   InChI=1/C24H24N2O6S/c1-17(23(27)25-22-12-8-7-11-21(22)24(28)31-2)26(33(3,29)30)18-13-15-20(16-14-18)32-19-9-5-4-6-10-19/h4-17H,1-3H3,(H,25,27)/t17-/m0/s1

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)=144.382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.53 g/mol  logS: -5.78652  SlogP: 4.0587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126123  Sterimol/B1: 2.22107  Sterimol/B2: 3.83237  Sterimol/B3: 7.23575
  Sterimol/B4: 8.97065  Sterimol/L: 18.9436 
 
 Surface and Volume Properties
  Accessible surface: 735.575  Positive charged surface: 433.396  Negative charged surface: 302.179  Volume: 423.125
  Hydrophobic surface: 617.077  Hydrophilic surface: 118.498
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.