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


ASINEX-ZINC00916954

MMsINC code: MMs00218965

Type: Neutral
Formula: C18H15F3N2O2S
SMILES:   S1c2c(NC(=O)C1CC(=O)NCc1ccccc1)cc(cc2)C(F)(F)F
InChI:   InChI=1/C18H15F3N2O2S/c19-18(20,21)12-6-7-14-13(8-12)23-17(25)15(26-14)9-16(24)22-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,22,24)(H,23,25)/t15-/m0/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)=67.8923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.39 g/mol  logS: -5.63615  SlogP: 4.4026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765567  Sterimol/B1: 2.26027  Sterimol/B2: 3.17118  Sterimol/B3: 4.96843
  Sterimol/B4: 7.33223  Sterimol/L: 16.4197 
 
 Surface and Volume Properties
  Accessible surface: 605.496  Positive charged surface: 280.124  Negative charged surface: 325.372  Volume: 318.875
  Hydrophobic surface: 361.254  Hydrophilic surface: 244.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.