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


ASINEX-ZINC04885258

 MMsINC code: MMs00393954
Type: Neutral
Formula: C19H23FN2O4S
SMILES:   S(CCC1(NC(C2C1C(=O)N(CC)C2=O)c1ccccc1F)C(OC)=O)C
InChI:   InChI=1/C19H23FN2O4S/c1-4-22-16(23)13-14(17(22)24)19(9-10-27-3,18(25)26-2)21-15(13)11-7-5-6-8-12(11)20/h5-8,13-15,21H,4,9-10H2,1-3H3/t13-,14+,15-,19-/m1/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)=91.4534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.467 g/mol  logS: -3.61392  SlogP: 1.8515  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240103  Sterimol/B1: 2.06942  Sterimol/B2: 4.37888  Sterimol/B3: 4.79574
  Sterimol/B4: 9.71483  Sterimol/L: 14.309 
 
 Surface and Volume Properties
  Accessible surface: 622.945  Positive charged surface: 386.767  Negative charged surface: 236.177  Volume: 356.625
  Hydrophobic surface: 486.084  Hydrophilic surface: 136.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.