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


FDA-ZINC00538505

 MMsINC code: MMs01725185
Type: Neutral
Formula: C22H23F4NO2
SMILES:   Fc1ccc(cc1)C(=O)CCCN1CCC(O)(CC1)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2

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)=88.9527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.423 g/mol  logS: -5.14064  SlogP: 5.414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458796  Sterimol/B1: 2.51201  Sterimol/B2: 4.0711  Sterimol/B3: 4.31792
  Sterimol/B4: 5.55632  Sterimol/L: 21.3892 
 
 Surface and Volume Properties
  Accessible surface: 660.815  Positive charged surface: 352.666  Negative charged surface: 308.15  Volume: 366.125
  Hydrophobic surface: 498.393  Hydrophilic surface: 162.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01725186
FDA-ZINC00538505