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


PUBCHEM-ZINC06096385

 MMsINC code: MMs03542487
Type: Neutral
Formula: C9H10N2O4
SMILES:   O(Cc1ccccc1)C(=O)N(O)C(=O)N
InChI:   InChI=1/C9H10N2O4/c10-8(12)11(14)9(13)15-6-7-4-2-1-3-5-7/h1-5,14H,6H2,(H2,10,12)

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)=47.1683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.189 g/mol  logS: -1.74574  SlogP: 1.3595  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0877987  Sterimol/B1: 2.69102  Sterimol/B2: 3.56448  Sterimol/B3: 3.79039
  Sterimol/B4: 4.3049  Sterimol/L: 14.1076 
 
 Surface and Volume Properties
  Accessible surface: 417.76  Positive charged surface: 234.197  Negative charged surface: 183.563  Volume: 184.5
  Hydrophobic surface: 223.571  Hydrophilic surface: 194.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.