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


NCID-ZINC05081341

 MMsINC code: MMs02437654
Type: Neutral
Formula: C4H4F2N2O3
SMILES:   FC1(F)C(O)NC(=O)NC1=O
InChI:   InChI=1/C4H4F2N2O3/c5-4(6)1(9)7-3(11)8-2(4)10/h1,9H,(H2,7,8,10,11)/t1-/m1/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)=1.69651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.083 g/mol  logS: -0.52201  SlogP: -0.8006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.318056  Sterimol/B1: 3.15817  Sterimol/B2: 3.21727  Sterimol/B3: 3.70004
  Sterimol/B4: 4.11101  Sterimol/L: 7.3727 
 
 Surface and Volume Properties
  Accessible surface: 285.953  Positive charged surface: 132.52  Negative charged surface: 153.433  Volume: 108.625
  Hydrophobic surface: 19.7496  Hydrophilic surface: 266.2034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.