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


PUBCHEM-ZINC06535876

 MMsINC code: MMs03786862
Type: Neutral
Formula: C16H19FN2O3S
SMILES:   S1CC2NC(=O)N(C2C1CCCCC(O)=O)c1ccc(F)cc1
InChI:   InChI=1/C16H19FN2O3S/c17-10-5-7-11(8-6-10)19-15-12(18-16(19)22)9-23-13(15)3-1-2-4-14(20)21/h5-8,12-13,15H,1-4,9H2,(H,18,22)(H,20,21)/t12-,13-,15-/m0/s1

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)=83.5836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.403 g/mol  logS: -3.38981  SlogP: 2.8529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127415  Sterimol/B1: 2.47026  Sterimol/B2: 3.88049  Sterimol/B3: 4.82778
  Sterimol/B4: 6.59501  Sterimol/L: 14.4354 
 
 Surface and Volume Properties
  Accessible surface: 533.97  Positive charged surface: 336.038  Negative charged surface: 197.933  Volume: 296.875
  Hydrophobic surface: 332.866  Hydrophilic surface: 201.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03786863
PUBCHEM-ZINC06535876