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


NCID-ZINC01684513

 MMsINC code: MMs02317902
Type: Neutral
Formula: C16H16N2O3
SMILES:   O(N(C(=O)C)C(=O)Nc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C16H16N2O3/c1-13(19)18(21-12-14-8-4-2-5-9-14)16(20)17-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,17,20)

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)=81.3658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.315 g/mol  logS: -3.73933  SlogP: 3.4652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0413967  Sterimol/B1: 2.46872  Sterimol/B2: 2.55616  Sterimol/B3: 3.48478
  Sterimol/B4: 8.99212  Sterimol/L: 15.4807 
 
 Surface and Volume Properties
  Accessible surface: 524.65  Positive charged surface: 285.861  Negative charged surface: 238.789  Volume: 275.75
  Hydrophobic surface: 443.905  Hydrophilic surface: 80.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.