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


ASINEX-ZINC00192488

 MMsINC code: MMs00089093
Type: Neutral
Formula: C14H16N2O3
SMILES:   OC(=O)c1[nH]c2c(cccc2)c1CC(NC(=O)C)C
InChI:   InChI=1/C14H16N2O3/c1-8(15-9(2)17)7-11-10-5-3-4-6-12(10)16-13(11)14(18)19/h3-6,8,16H,7H2,1-2H3,(H,15,17)(H,18,19)/t8-/m0/s1

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)=23.8334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.293 g/mol  logS: -2.33927  SlogP: 1.93317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25295  Sterimol/B1: 2.61707  Sterimol/B2: 5.04387  Sterimol/B3: 5.34387
  Sterimol/B4: 6.00698  Sterimol/L: 11.7484 
 
 Surface and Volume Properties
  Accessible surface: 476.676  Positive charged surface: 290.143  Negative charged surface: 183.664  Volume: 249
  Hydrophobic surface: 309.301  Hydrophilic surface: 167.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00089094
ASINEX-ZINC00192488