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


ASINEX-ZINC04980447

 MMsINC code: MMs00420984
Type: Neutral
Formula: C24H23FN4
SMILES:   Fc1ccc(cc1)-c1nn2c(N=C(C=C2N2CC(CCC2)C)c2ccccc2)c1
InChI:   InChI=1/C24H23FN4/c1-17-6-5-13-28(16-17)24-15-21(18-7-3-2-4-8-18)26-23-14-22(27-29(23)24)19-9-11-20(25)12-10-19/h2-4,7-12,14-15,17H,5-6,13,16H2,1H3/t17-/m0/s1

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)=120.404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.474 g/mol  logS: -6.56987  SlogP: 5.3539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562952  Sterimol/B1: 2.191  Sterimol/B2: 2.23132  Sterimol/B3: 5.49158
  Sterimol/B4: 11.6332  Sterimol/L: 17.528 
 
 Surface and Volume Properties
  Accessible surface: 679.61  Positive charged surface: 400.034  Negative charged surface: 279.577  Volume: 379.875
  Hydrophobic surface: 620.1  Hydrophilic surface: 59.51
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.