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


ENAMINE-ZINC03422659

 MMsINC code: MMs01432799
Type: Neutral
Formula: C19H21FN2O4S
SMILES:   S(=O)(=O)(N1CCN(CC1)C(=O)CCOc1ccccc1)c1ccccc1F
InChI:   InChI=1/C19H21FN2O4S/c20-17-8-4-5-9-18(17)27(24,25)22-13-11-21(12-14-22)19(23)10-15-26-16-6-2-1-3-7-16/h1-9H,10-15H2

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)=62.5109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.451 g/mol  logS: -3.53548  SlogP: 2.1277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665642  Sterimol/B1: 3.67973  Sterimol/B2: 3.82065  Sterimol/B3: 5.16465
  Sterimol/B4: 5.18587  Sterimol/L: 19.6267 
 
 Surface and Volume Properties
  Accessible surface: 641.681  Positive charged surface: 379.541  Negative charged surface: 262.14  Volume: 350.25
  Hydrophobic surface: 551.639  Hydrophilic surface: 90.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.