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


ASINEX-ZINC00842027

 MMsINC code: MMs00188293
Type: Neutral
Formula: C26H18F3NO2
SMILES:   FC(F)(F)c1cc(N2C(=O)C3C(C4c5c(cccc5)C3(c3c4cccc3)C)C2=O)ccc1
InChI:   InChI=1/C26H18F3NO2/c1-25-18-11-4-2-9-16(18)20(17-10-3-5-12-19(17)25)21-22(25)24(32)30(23(21)31)15-8-6-7-14(13-15)26(27,28)29/h2-13,20-22H,1H3/t20-,21-,22+,25+/m1/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)=133.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 433.429 g/mol  logS: -6.75452  SlogP: 5.5876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175353  Sterimol/B1: 2.15789  Sterimol/B2: 4.83015  Sterimol/B3: 5.08996
  Sterimol/B4: 7.22055  Sterimol/L: 16.7376 
 
 Surface and Volume Properties
  Accessible surface: 607.862  Positive charged surface: 286.626  Negative charged surface: 321.236  Volume: 376.75
  Hydrophobic surface: 439.519  Hydrophilic surface: 168.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.