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


CHEMDIV-ZINC02921189

 MMsINC code: MMs00891320
Type: Neutral
Formula: C24H29N3O5S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1
InChI:   InChI=1/C24H29N3O5S/c28-23(19-8-7-9-20(18-19)33(30,31)27-14-16-32-17-15-27)25-22-11-4-3-10-21(22)24(29)26-12-5-1-2-6-13-26/h3-4,7-11,18H,1-2,5-6,12-17H2,(H,25,28)

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)=125.204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 471.578 g/mol  logS: -4.55597  SlogP: 2.976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549402  Sterimol/B1: 2.68888  Sterimol/B2: 3.75946  Sterimol/B3: 4.53226
  Sterimol/B4: 9.1052  Sterimol/L: 18.45 
 
 Surface and Volume Properties
  Accessible surface: 713.432  Positive charged surface: 477.217  Negative charged surface: 236.215  Volume: 432
  Hydrophobic surface: 597.365  Hydrophilic surface: 116.067
 
 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.