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


ASINEX-ZINC04156625

MMsINC code: MMs00311479

Type: Neutral
Formula: C14H20N2O4
SMILES:   O(C)c1ccc(cc1[N+](=O)[O-])C(=O)NCCCCCC
InChI:   InChI=1/C14H20N2O4/c1-3-4-5-6-9-15-14(17)11-7-8-13(20-2)12(10-11)16(18)19/h7-8,10H,3-6,9H2,1-2H3,(H,15,17)

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)=58.0292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.324 g/mol  logS: -4.44626  SlogP: 2.9135  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0120377  Sterimol/B1: 2.3753  Sterimol/B2: 2.37716  Sterimol/B3: 3.23895
  Sterimol/B4: 5.9759  Sterimol/L: 18.6989 
 
 Surface and Volume Properties
  Accessible surface: 553.08  Positive charged surface: 368.989  Negative charged surface: 184.091  Volume: 272
  Hydrophobic surface: 405.794  Hydrophilic surface: 147.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.