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


ASINEX-ZINC01926474

 MMsINC code: MMs00260009
Type: Neutral
Formula: C14H15F3N2O3
SMILES:   FC(F)(F)c1cc(ccc1)CN1CCNC(=O)C1CC(O)=O
InChI:   InChI=1/C14H15F3N2O3/c15-14(16,17)10-3-1-2-9(6-10)8-19-5-4-18-13(22)11(19)7-12(20)21/h1-3,6,11H,4-5,7-8H2,(H,18,22)(H,20,21)/t11-/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)=82.9625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.279 g/mol  logS: -2.51205  SlogP: 2.0584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142905  Sterimol/B1: 2.60505  Sterimol/B2: 2.90143  Sterimol/B3: 4.21889
  Sterimol/B4: 6.99684  Sterimol/L: 13.5025 
 
 Surface and Volume Properties
  Accessible surface: 487.829  Positive charged surface: 260.618  Negative charged surface: 227.211  Volume: 261.25
  Hydrophobic surface: 244.983  Hydrophilic surface: 242.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.