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


ENAMINE-ZINC03518102

 MMsINC code: MMs01487324
Type: Neutral
Formula: C10H11FN2O2S
SMILES:   S(CC(=O)NC(=O)NC)c1ccc(F)cc1
InChI:   InChI=1/C10H11FN2O2S/c1-12-10(15)13-9(14)6-16-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H2,12,13,14,15)

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)=23.0121 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.274 g/mol  logS: -3.10236  SlogP: 1.3734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00679756  Sterimol/B1: 2.37553  Sterimol/B2: 2.37582  Sterimol/B3: 3.90559
  Sterimol/B4: 3.99125  Sterimol/L: 16.2101 
 
 Surface and Volume Properties
  Accessible surface: 453.3  Positive charged surface: 270.953  Negative charged surface: 182.347  Volume: 210.875
  Hydrophobic surface: 308.721  Hydrophilic surface: 144.579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.