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


ENAMINE-ZINC06851564

 MMsINC code: MMs01706415
Type: Neutral
Formula: C18H23N3O4S
SMILES:   S(=O)(=O)(NC(C)C)c1ccc(NC(=O)c2[nH]c(C)c(C(=O)C)c2C)cc1
InChI:   InChI=1/C18H23N3O4S/c1-10(2)21-26(24,25)15-8-6-14(7-9-15)20-18(23)17-11(3)16(13(5)22)12(4)19-17/h6-10,19,21H,1-5H3,(H,20,23)

Download   format file 
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)=52.5555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.465 g/mol  logS: -3.22954  SlogP: 2.77314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0351211  Sterimol/B1: 2.57406  Sterimol/B2: 3.09862  Sterimol/B3: 4.3552
  Sterimol/B4: 7.24974  Sterimol/L: 19.404 
 
 Surface and Volume Properties
  Accessible surface: 644.035  Positive charged surface: 369.99  Negative charged surface: 274.045  Volume: 350.5
  Hydrophobic surface: 430.007  Hydrophilic surface: 214.028
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.