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


ENAMINE-ZINC03448264

 MMsINC code: MMs01448738
Type: Neutral
Formula: C19H21N3O6S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)COC(=O)CNC(=O)c1ccccc1
InChI:   InChI=1/C19H21N3O6S/c20-29(26,27)16-8-6-14(7-9-16)10-11-21-17(23)13-28-18(24)12-22-19(25)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,21,23)(H,22,25)(H2,20,26,27)

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)=55.6175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.458 g/mol  logS: -4.16773  SlogP: -0.03413  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0141387  Sterimol/B1: 3.31764  Sterimol/B2: 3.61102  Sterimol/B3: 3.63402
  Sterimol/B4: 4.89542  Sterimol/L: 25.6795 
 
 Surface and Volume Properties
  Accessible surface: 722.67  Positive charged surface: 412.995  Negative charged surface: 309.675  Volume: 370.125
  Hydrophobic surface: 446.066  Hydrophilic surface: 276.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01448739
ENAMINE-ZINC03448264