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


NANOSIN-ZINC04420258

 MMsINC code: MMs02206503
Type: Neutral
Formula: C18H13FN2O4
SMILES:   Fc1ccccc1C=1OC(=O)/C(/N=1)=C/Nc1ccc(cc1)C(OC)=O
InChI:   InChI=1/C18H13FN2O4/c1-24-17(22)11-6-8-12(9-7-11)20-10-15-18(23)25-16(21-15)13-4-2-3-5-14(13)19/h2-10,20H,1H3/b15-10-

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)=98.2117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.31 g/mol  logS: -5.32337  SlogP: 2.8692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00155115  Sterimol/B1: 2.37461  Sterimol/B2: 2.37538  Sterimol/B3: 4.68859
  Sterimol/B4: 5.32433  Sterimol/L: 19.9879 
 
 Surface and Volume Properties
  Accessible surface: 590.872  Positive charged surface: 336.803  Negative charged surface: 254.069  Volume: 304
  Hydrophobic surface: 455.899  Hydrophilic surface: 134.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.