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


ACROSORGANICS-ZINC03860994

 MMsINC code: MMs00015690
Type: Neutral
Formula: C10H6N2O4
SMILES:   O=[N+]([O-])c1c2c(ccc1)c([N+](=O)[O-])ccc2
InChI:   InChI=1/C10H6N2O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H

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)=87.473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.168 g/mol  logS: -4.84322  SlogP: 2.6562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151586  Sterimol/B1: 2.45619  Sterimol/B2: 2.45679  Sterimol/B3: 2.5445
  Sterimol/B4: 7.08431  Sterimol/L: 11.6147 
 
 Surface and Volume Properties
  Accessible surface: 370.35  Positive charged surface: 116.375  Negative charged surface: 243.161  Volume: 176.375
  Hydrophobic surface: 220.702  Hydrophilic surface: 149.648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.