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


AURORAFEINCHEMIE-ZINC03428150

 MMsINC code: MMs00456265
Type: Neutral
Formula: C25H25FN2O2
SMILES:   Fc1ccccc1C(=O)NC(C(C)C)C(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H25FN2O2/c1-17(2)22(27-24(29)20-15-9-10-16-21(20)26)25(30)28-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22-23H,1-2H3,(H,27,29)(H,28,30)/t22-/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)=99.7143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.485 g/mol  logS: -6.26511  SlogP: 4.5814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153511  Sterimol/B1: 2.21526  Sterimol/B2: 5.11284  Sterimol/B3: 6.3119
  Sterimol/B4: 7.33177  Sterimol/L: 17.2889 
 
 Surface and Volume Properties
  Accessible surface: 680.419  Positive charged surface: 376.972  Negative charged surface: 303.448  Volume: 398.25
  Hydrophobic surface: 599.262  Hydrophilic surface: 81.157
 
 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.