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


CHEMSTAR-ZINC00142067

 MMsINC code: MMs01073174
Type: Neutral
Formula: C15H15N3O4S
SMILES:   S(=O)(=O)(NC(=O)C)c1ccc(NC(=O)Nc2ccccc2)cc1
InChI:   InChI=1/C15H15N3O4S/c1-11(19)18-23(21,22)14-9-7-13(8-10-14)17-15(20)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)(H2,16,17,20)

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)=27.4918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.368 g/mol  logS: -3.68459  SlogP: 2.1554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063809  Sterimol/B1: 2.39969  Sterimol/B2: 2.57296  Sterimol/B3: 5.74916
  Sterimol/B4: 6.25971  Sterimol/L: 17.0479 
 
 Surface and Volume Properties
  Accessible surface: 558.21  Positive charged surface: 303.626  Negative charged surface: 254.583  Volume: 287.25
  Hydrophobic surface: 390.169  Hydrophilic surface: 168.041
 
 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.