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


ENAMINE-ZINC06551609

 MMsINC code: MMs01671740
Type: Neutral
Formula: C22H25F2N3O3
SMILES:   FC(F)Oc1ccc(cc1)CCNC(=O)C1CCN(CC1)C(=O)Nc1ccccc1
InChI:   InChI=1/C22H25F2N3O3/c23-21(24)30-19-8-6-16(7-9-19)10-13-25-20(28)17-11-14-27(15-12-17)22(29)26-18-4-2-1-3-5-18/h1-9,17,21H,10-15H2,(H,25,28)(H,26,29)

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)=74.0279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.456 g/mol  logS: -3.76725  SlogP: 4.31067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.033747  Sterimol/B1: 3.00752  Sterimol/B2: 3.02219  Sterimol/B3: 4.12048
  Sterimol/B4: 7.10663  Sterimol/L: 22.8654 
 
 Surface and Volume Properties
  Accessible surface: 707.987  Positive charged surface: 444.056  Negative charged surface: 263.931  Volume: 382.75
  Hydrophobic surface: 548.475  Hydrophilic surface: 159.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.