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


PUBCHEM-ZINC05859365

 MMsINC code: MMs03421443
Type: Neutral
Formula: C7H9FN2O3
SMILES:   FC1=CN(COCC)C(=O)NC1=O
InChI:   InChI=1/C7H9FN2O3/c1-2-13-4-10-3-5(8)6(11)9-7(10)12/h3H,2,4H2,1H3,(H,9,11,12)

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)=-2.61676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.158 g/mol  logS: -0.87165  SlogP: 0.452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187991  Sterimol/B1: 2.28708  Sterimol/B2: 3.98007  Sterimol/B3: 4.2109
  Sterimol/B4: 4.49803  Sterimol/L: 11.3451 
 
 Surface and Volume Properties
  Accessible surface: 359.434  Positive charged surface: 217.373  Negative charged surface: 142.061  Volume: 156.875
  Hydrophobic surface: 195.911  Hydrophilic surface: 163.523
 
 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.