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


PUBCHEM-ZINC06521391

 MMsINC code: MMs03779780
Type: Neutral
Formula: C10H13FN2O4
SMILES:   FC1CC(OC1N1C=C(C)C(=O)NC1=O)CO
InChI:   InChI=1/C10H13FN2O4/c1-5-3-13(10(16)12-8(5)15)9-7(11)2-6(4-14)17-9/h3,6-7,9,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,9+/m0/s1

Download   format file 
Drug Similarity  |  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)=15.8982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.222 g/mol  logS: -0.81914  SlogP: 0.3073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126474  Sterimol/B1: 3.0735  Sterimol/B2: 3.56723  Sterimol/B3: 4.18813
  Sterimol/B4: 4.54322  Sterimol/L: 12.85 
 
 Surface and Volume Properties
  Accessible surface: 425.947  Positive charged surface: 271.189  Negative charged surface: 154.758  Volume: 204.5
  Hydrophobic surface: 227.591  Hydrophilic surface: 198.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.