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


ASINEX-ZINC00710184

 MMsINC code: MMs00151524
Type: Neutral
Formula: C23H26N4O4S
SMILES:   S(=O)(=O)(Nc1nc(nc(c1)C)C)c1ccc(NC(=O)COc2ccc(cc2)C(C)C)cc1
InChI:   InChI=1/C23H26N4O4S/c1-15(2)18-5-9-20(10-6-18)31-14-23(28)26-19-7-11-21(12-8-19)32(29,30)27-22-13-16(3)24-17(4)25-22/h5-13,15H,14H2,1-4H3,(H,26,28)(H,24,25,27)

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)=68.9565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.551 g/mol  logS: -6.11769  SlogP: 4.03514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431944  Sterimol/B1: 2.19536  Sterimol/B2: 2.24617  Sterimol/B3: 6.49027
  Sterimol/B4: 8.17746  Sterimol/L: 22.323 
 
 Surface and Volume Properties
  Accessible surface: 760.416  Positive charged surface: 458.277  Negative charged surface: 302.138  Volume: 421.375
  Hydrophobic surface: 554.801  Hydrophilic surface: 205.615
 
 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.