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


PUBCHEM-ZINC02729445

 MMsINC code: MMs02912813
Type: Neutral
Formula: C24H24N2O4S
SMILES:   S(=O)(=O)(NC(=O)c1cc(ccc1)C)c1ccc(cc1)CCNC(=O)c1cc(ccc1)C
InChI:   InChI=1/C24H24N2O4S/c1-17-5-3-7-20(15-17)23(27)25-14-13-19-9-11-22(12-10-19)31(29,30)26-24(28)21-8-4-6-18(2)16-21/h3-12,15-16H,13-14H2,1-2H3,(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)=59.2967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.532 g/mol  logS: -6.5013  SlogP: 3.39461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291293  Sterimol/B1: 3.30773  Sterimol/B2: 4.29159  Sterimol/B3: 5.57247
  Sterimol/B4: 5.89093  Sterimol/L: 22.9053 
 
 Surface and Volume Properties
  Accessible surface: 751.4  Positive charged surface: 405.293  Negative charged surface: 346.108  Volume: 409
  Hydrophobic surface: 613.152  Hydrophilic surface: 138.248
 
 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.