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


NCID-ZINC01623714

 MMsINC code: MMs02270992
Type: Neutral
Formula: C10H9FN2O4
SMILES:   FC1=CN(C2OC(C=CC2=O)C)C(=O)NC1=O
InChI:   InChI=1/C10H9FN2O4/c1-5-2-3-7(14)9(17-5)13-4-6(11)8(15)12-10(13)16/h2-5,9H,1H3,(H,12,15,16)/t5-,9-/m0/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)=41.9703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.19 g/mol  logS: -2.03289  SlogP: 0.3281  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.059533  Sterimol/B1: 2.40155  Sterimol/B2: 2.6937  Sterimol/B3: 3.06392
  Sterimol/B4: 5.73294  Sterimol/L: 12.487 
 
 Surface and Volume Properties
  Accessible surface: 401.087  Positive charged surface: 221.022  Negative charged surface: 180.066  Volume: 194.375
  Hydrophobic surface: 215.508  Hydrophilic surface: 185.579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.