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


ENAMINE-ZINC03598188

 MMsINC code: MMs01520417
Type: Neutral
Formula: C16H16FNO3S2
SMILES:   s1c(C)c(C)c(C(OC)=O)c1NC(=O)CSc1ccc(F)cc1
InChI:   InChI=1/C16H16FNO3S2/c1-9-10(2)23-15(14(9)16(20)21-3)18-13(19)8-22-12-6-4-11(17)5-7-12/h4-7H,8H2,1-3H3,(H,18,19)

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)=83.8765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.438 g/mol  logS: -5.51829  SlogP: 4.02144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132303  Sterimol/B1: 3.00866  Sterimol/B2: 3.13265  Sterimol/B3: 5.35712
  Sterimol/B4: 5.931  Sterimol/L: 17.5204 
 
 Surface and Volume Properties
  Accessible surface: 596.492  Positive charged surface: 326.227  Negative charged surface: 270.266  Volume: 310.75
  Hydrophobic surface: 494.02  Hydrophilic surface: 102.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.