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


NCID-ZINC01847237

 MMsINC code: MMs02371232
Type: Neutral
Formula: C10H13NO5
SMILES:   O(C)c1ccc([N+](=O)[O-])cc1C(OC)OC
InChI:   InChI=1/C10H13NO5/c1-14-9-5-4-7(11(12)13)6-8(9)10(15-2)16-3/h4-6,10H,1-3H3

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)=70.0921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.216 g/mol  logS: -2.36506  SlogP: 1.9903  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773368  Sterimol/B1: 2.36656  Sterimol/B2: 2.60335  Sterimol/B3: 3.78305
  Sterimol/B4: 8.93241  Sterimol/L: 11.2802 
 
 Surface and Volume Properties
  Accessible surface: 429.801  Positive charged surface: 291  Negative charged surface: 138.801  Volume: 204
  Hydrophobic surface: 334.246  Hydrophilic surface: 95.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.