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


ASINEX-ZINC01350871

 MMsINC code: MMs00242881
Type: Neutral
Formula: C30H32N2O5S2
SMILES:   S(=O)(=O)(N(Cc1ccc(OC)cc1)Cc1ccccc1)c1ccc(S(=O)(=O)N(Cc2cccc
c2)CC)cc1
InChI:   InChI=1/C30H32N2O5S2/c1-3-31(22-25-10-6-4-7-11-25)38(33,34)29-18-20-30(21-19-29)39(35,36)32(23-26-12-8-5-9-13-26)24-27-14-16-28(37-2)17-15-27/h4-21H,3,22-24H2,1-2H3

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)=87.5358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 564.727 g/mol  logS: -6.89329  SlogP: 6.0963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0395827  Sterimol/B1: 2.36744  Sterimol/B2: 3.3133  Sterimol/B3: 5.20108
  Sterimol/B4: 10.2044  Sterimol/L: 23.6803 
 
 Surface and Volume Properties
  Accessible surface: 825.776  Positive charged surface: 476.263  Negative charged surface: 349.513  Volume: 524.5
  Hydrophobic surface: 687.959  Hydrophilic surface: 137.817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.