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


ASINEX-ZINC01344235

 MMsINC code: MMs00241141
Type: Neutral
Formula: C16H24N2O4S
SMILES:   S(=O)(=O)(N1CCC(NC(=O)C)(CC1)c1ccc(OC)cc1)CC
InChI:   InChI=1/C16H24N2O4S/c1-4-23(20,21)18-11-9-16(10-12-18,17-13(2)19)14-5-7-15(22-3)8-6-14/h5-8H,4,9-12H2,1-3H3,(H,17,19)

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)=54.0555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.444 g/mol  logS: -2.35238  SlogP: 1.7836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10496  Sterimol/B1: 2.55626  Sterimol/B2: 3.30073  Sterimol/B3: 3.99989
  Sterimol/B4: 8.9596  Sterimol/L: 15.2408 
 
 Surface and Volume Properties
  Accessible surface: 564.029  Positive charged surface: 377.255  Negative charged surface: 186.774  Volume: 318.125
  Hydrophobic surface: 450.488  Hydrophilic surface: 113.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.