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


ASINEX-ZINC04886719

 MMsINC code: MMs00394459
Type: Neutral
Formula: C19H26F3N3O
SMILES:   FC(F)(F)c1ccccc1NC(=O)NC1CC2N(C(C1)CCC2)CCC
InChI:   InChI=1/C19H26F3N3O/c1-2-10-25-14-6-5-7-15(25)12-13(11-14)23-18(26)24-17-9-4-3-8-16(17)19(20,21)22/h3-4,8-9,13-15H,2,5-7,10-12H2,1H3,(H2,23,24,26)/t13-,14-,15+

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)=53.0075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.431 g/mol  logS: -4.21814  SlogP: 4.9339  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.05891  Sterimol/B1: 2.53224  Sterimol/B2: 3.58999  Sterimol/B3: 5.07358
  Sterimol/B4: 5.3436  Sterimol/L: 18.1555 
 
 Surface and Volume Properties
  Accessible surface: 608.627  Positive charged surface: 374.94  Negative charged surface: 233.687  Volume: 340.5
  Hydrophobic surface: 447.552  Hydrophilic surface: 161.075
 
 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


MMs00394460
ASINEX-ZINC04886719