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


IBS-ZINC01479807

 MMsINC code: MMs01770939
Type: Neutral
Formula: C24H19FN2O4
SMILES:   Fc1ccccc1C1N(Cc2cccnc2)C(=O)C(=O)C1C(=O)c1cc(OC)ccc1
InChI:   InChI=1/C24H19FN2O4/c1-31-17-8-4-7-16(12-17)22(28)20-21(18-9-2-3-10-19(18)25)27(24(30)23(20)29)14-15-6-5-11-26-13-15/h2-13,20-21H,14H2,1H3/t20-,21+/m1/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)=93.6619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.424 g/mol  logS: -4.61606  SlogP: 3.7429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129745  Sterimol/B1: 3.37774  Sterimol/B2: 4.83338  Sterimol/B3: 5.54698
  Sterimol/B4: 8.53837  Sterimol/L: 15.7113 
 
 Surface and Volume Properties
  Accessible surface: 653.334  Positive charged surface: 382.55  Negative charged surface: 270.785  Volume: 382.625
  Hydrophobic surface: 534.734  Hydrophilic surface: 118.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs01770941
IBS-ZINC01479807


MMs01770943
IBS-ZINC01479807


MMs01770942
IBS-ZINC01479807


MMs01770940
IBS-ZINC01479807