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


NANOSIN-ZINC01636105

 MMsINC code: MMs02199032
Type: Neutral
Formula: C8H9FN2O3
SMILES:   FC1=CN(COCC=C)C(=O)NC1=O
InChI:   InChI=1/C8H9FN2O3/c1-2-3-14-5-11-4-6(9)7(12)10-8(11)13/h2,4H,1,3,5H2,(H,10,12,13)

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)=1.56615 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.169 g/mol  logS: -1.04067  SlogP: 0.6181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203264  Sterimol/B1: 2.29442  Sterimol/B2: 3.01523  Sterimol/B3: 4.18743
  Sterimol/B4: 5.5393  Sterimol/L: 11.6561 
 
 Surface and Volume Properties
  Accessible surface: 387.412  Positive charged surface: 211.237  Negative charged surface: 176.175  Volume: 171.125
  Hydrophobic surface: 183.984  Hydrophilic surface: 203.428
 
 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.