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


CHEMDIV-ZINC02840886

 MMsINC code: MMs00888234
Type: Neutral
Formula: C24H26N4O4S
SMILES:   S(=O)(=O)(Nc1nc(cc(n1)C)C)c1ccc(NC(=O)C2(CCOCC2)c2ccccc2)cc1
InChI:   InChI=1/C24H26N4O4S/c1-17-16-18(2)26-23(25-17)28-33(30,31)21-10-8-20(9-11-21)27-22(29)24(12-14-32-15-13-24)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,27,29)(H,25,26,28)

Download   format file 
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)=68.1083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.562 g/mol  logS: -5.6537  SlogP: 3.58114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767723  Sterimol/B1: 2.61615  Sterimol/B2: 3.58941  Sterimol/B3: 5.89586
  Sterimol/B4: 8.20748  Sterimol/L: 18.9344 
 
 Surface and Volume Properties
  Accessible surface: 711.561  Positive charged surface: 426.254  Negative charged surface: 285.307  Volume: 425.125
  Hydrophobic surface: 571.31  Hydrophilic surface: 140.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.