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


ASINEX-ZINC00900505

 MMsINC code: MMs00212459
Type: Neutral
Formula: C23H24F2N4O
SMILES:   FC(F)C1n2ncc(c2NC(C1)c1ccc(cc1)C)C(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C23H24F2N4O/c1-14-3-7-16(8-4-14)12-26-23(30)18-13-27-29-20(21(24)25)11-19(28-22(18)29)17-9-5-15(2)6-10-17/h3-10,13,19-21,28H,11-12H2,1-2H3,(H,26,30)/t19-,20+/m0/s1

Download   format file 
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)=121.293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.468 g/mol  logS: -5.33114  SlogP: 5.67034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433597  Sterimol/B1: 3.59597  Sterimol/B2: 3.74507  Sterimol/B3: 5.1595
  Sterimol/B4: 7.12435  Sterimol/L: 20.5882 
 
 Surface and Volume Properties
  Accessible surface: 709.083  Positive charged surface: 420.836  Negative charged surface: 288.247  Volume: 387.5
  Hydrophobic surface: 575.834  Hydrophilic surface: 133.249
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.