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


ENAMINE-ZINC03224459

 MMsINC code: MMs01315250
Type: Neutral
Formula: C26H27F3N4O3
SMILES:   FC(F)(F)c1cc(Nc2ncccc2C(OCC(=O)Nc2ccc(N(C(C)C)CC)cc2)=O)ccc1
InChI:   InChI=1/C26H27F3N4O3/c1-4-33(17(2)3)21-12-10-19(11-13-21)31-23(34)16-36-25(35)22-9-6-14-30-24(22)32-20-8-5-7-18(15-20)26(27,28)29/h5-15,17H,4,16H2,1-3H3,(H,30,32)(H,31,34)

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)=159.427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 500.521 g/mol  logS: -6.40207  SlogP: 6.1857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0241358  Sterimol/B1: 1.99998  Sterimol/B2: 5.17775  Sterimol/B3: 6.05179
  Sterimol/B4: 6.38944  Sterimol/L: 23.8862 
 
 Surface and Volume Properties
  Accessible surface: 811.132  Positive charged surface: 469.356  Negative charged surface: 341.776  Volume: 454.75
  Hydrophobic surface: 547.835  Hydrophilic surface: 263.297
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.