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


PUBCHEM-ZINC02003066

 MMsINC code: MMs02844724
Type: Neutral
Formula: C14H9NO2
SMILES:   O=[N+]([O-])c1c2c(cc3c(c2)cccc3)ccc1
InChI:   InChI=1/C14H9NO2/c16-15(17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H

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)=77.9393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.231 g/mol  logS: -5.93087  SlogP: 3.9012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00405729  Sterimol/B1: 2.42286  Sterimol/B2: 2.47812  Sterimol/B3: 4.11665
  Sterimol/B4: 5.24717  Sterimol/L: 12.3048 
 
 Surface and Volume Properties
  Accessible surface: 413.14  Positive charged surface: 165.526  Negative charged surface: 226.852  Volume: 207.5
  Hydrophobic surface: 338.318  Hydrophilic surface: 74.822
 
 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.