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


ENAMINE-ZINC05938099

 MMsINC code: MMs01647122
Type: Neutral
Formula: C22H24F2N2O2
SMILES:   Fc1ccccc1CC(=O)NC1CCCCC1NC(=O)Cc1ccccc1F
InChI:   InChI=1/C22H24F2N2O2/c23-17-9-3-1-7-15(17)13-21(27)25-19-11-5-6-12-20(19)26-22(28)14-16-8-2-4-10-18(16)24/h1-4,7-10,19-20H,5-6,11-14H2,(H,25,27)(H,26,28)/t19-,20+

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)=66.9965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.442 g/mol  logS: -5.1403  SlogP: 3.29354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582427  Sterimol/B1: 2.41012  Sterimol/B2: 3.84628  Sterimol/B3: 4.96016
  Sterimol/B4: 8.00884  Sterimol/L: 19.2001 
 
 Surface and Volume Properties
  Accessible surface: 661.76  Positive charged surface: 401.419  Negative charged surface: 260.341  Volume: 366.875
  Hydrophobic surface: 610.034  Hydrophilic surface: 51.726
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.