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


ENAMINE-ZINC06114750

MMsINC code: MMs01658340

Type: Neutral
Formula: C19H14FNO3S
SMILES:   s1cccc1C(=O)Nc1cc(ccc1)C(OCc1ccccc1F)=O
InChI:   InChI=1/C19H14FNO3S/c20-16-8-2-1-5-14(16)12-24-19(23)13-6-3-7-15(11-13)21-18(22)17-9-4-10-25-17/h1-11H,12H2,(H,21,22)

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)=72.1735 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.389 g/mol  logS: -5.60615  SlogP: 4.7629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00736521  Sterimol/B1: 2.45152  Sterimol/B2: 3.11899  Sterimol/B3: 4.46243
  Sterimol/B4: 5.51784  Sterimol/L: 20.2143 
 
 Surface and Volume Properties
  Accessible surface: 602.279  Positive charged surface: 280.481  Negative charged surface: 321.798  Volume: 316.625
  Hydrophobic surface: 521.316  Hydrophilic surface: 80.963
 
 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.