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


NCID-ZINC04583089

 MMsINC code: MMs02391984
Type: Neutral
Formula: C10H11FN2O2
SMILES:   Fc1ccc(NC(ON=C(C)C)=O)cc1
InChI:   InChI=1/C10H11FN2O2/c1-7(2)13-15-10(14)12-9-5-3-8(11)4-6-9/h3-6H,1-2H3,(H,12,14)

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)=74.3028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.208 g/mol  logS: -2.42  SlogP: 2.77  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210505  Sterimol/B1: 2.52186  Sterimol/B2: 2.5656  Sterimol/B3: 2.90161
  Sterimol/B4: 5.10811  Sterimol/L: 14.5384 
 
 Surface and Volume Properties
  Accessible surface: 431.668  Positive charged surface: 249.815  Negative charged surface: 181.853  Volume: 192.25
  Hydrophobic surface: 356.176  Hydrophilic surface: 75.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.