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


ASINEX-ZINC04511329

 MMsINC code: MMs00345966
Type: Neutral
Formula: C17H26N2O4S
SMILES:   S(=O)(=O)(NC1CC(NC(C1)(C)C)(C)C)c1cc2OCCOc2cc1
InChI:   InChI=1/C17H26N2O4S/c1-16(2)10-12(11-17(3,4)19-16)18-24(20,21)13-5-6-14-15(9-13)23-8-7-22-14/h5-6,9,12,18-19H,7-8,10-11H2,1-4H3

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)=39.7053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.471 g/mol  logS: -3.10062  SlogP: 2.0453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141726  Sterimol/B1: 2.23135  Sterimol/B2: 4.03039  Sterimol/B3: 5.96921
  Sterimol/B4: 6.73246  Sterimol/L: 14.6757 
 
 Surface and Volume Properties
  Accessible surface: 553.236  Positive charged surface: 368.099  Negative charged surface: 185.138  Volume: 331.125
  Hydrophobic surface: 377.603  Hydrophilic surface: 175.633
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00345967
ASINEX-ZINC04511329