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


NCID-ZINC01691393

 MMsINC code: MMs02323483
Type: Neutral
Formula: C9H10N2O3
SMILES:   OC(=O)c1ccc(NNC(=O)C)cc1
InChI:   InChI=1/C9H10N2O3/c1-6(12)10-11-8-4-2-7(3-5-8)9(13)14/h2-5,11H,1H3,(H,10,12)(H,13,14)

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)=53.8494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.19 g/mol  logS: -1.26102  SlogP: 0.8478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00609749  Sterimol/B1: 2.10303  Sterimol/B2: 2.51222  Sterimol/B3: 2.74809
  Sterimol/B4: 4.97058  Sterimol/L: 13.8006 
 
 Surface and Volume Properties
  Accessible surface: 393.933  Positive charged surface: 219.131  Negative charged surface: 174.802  Volume: 176.875
  Hydrophobic surface: 226.754  Hydrophilic surface: 167.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02323484
NCID-ZINC01691393