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


ASINEX-ZINC00933244

 MMsINC code: MMs00225781
Type: Neutral
Formula: C26H34N2O4S3
SMILES:   s1cccc1CN(S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)Cc1ccc(cc1)C(C
)(C)C
InChI:   InChI=1/C26H34N2O4S3/c1-6-27(7-2)34(29,30)24-14-16-25(17-15-24)35(31,32)28(20-23-9-8-18-33-23)19-21-10-12-22(13-11-21)26(3,4)5/h8-18H,6-7,19-20H2,1-5H3

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)=80.1069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 534.766 g/mol  logS: -7.22847  SlogP: 6  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0432599  Sterimol/B1: 2.46913  Sterimol/B2: 3.91088  Sterimol/B3: 4.60564
  Sterimol/B4: 10.0069  Sterimol/L: 21.3362 
 
 Surface and Volume Properties
  Accessible surface: 783.509  Positive charged surface: 452.166  Negative charged surface: 331.342  Volume: 499.375
  Hydrophobic surface: 581.036  Hydrophilic surface: 202.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.