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


ASINEX-ZINC03878915

 MMsINC code: MMs00291372
Type: Neutral
Formula: C11H10F3N3O6
SMILES:   FC(F)(F)c1cc([N+](=O)[O-])c(NCCCC(O)=O)c([N+](=O)[O-])c1
InChI:   InChI=1/C11H10F3N3O6/c12-11(13,14)6-4-7(16(20)21)10(8(5-6)17(22)23)15-3-1-2-9(18)19/h4-5,15H,1-3H2,(H,18,19)

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)=138.435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.21 g/mol  logS: -3.89788  SlogP: 3.11  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0592758  Sterimol/B1: 3.08661  Sterimol/B2: 3.54045  Sterimol/B3: 4.25388
  Sterimol/B4: 6.42061  Sterimol/L: 15.5792 
 
 Surface and Volume Properties
  Accessible surface: 494.769  Positive charged surface: 184.689  Negative charged surface: 310.08  Volume: 243.625
  Hydrophobic surface: 145.056  Hydrophilic surface: 349.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00291373
ASINEX-ZINC03878915