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


NCID-ZINC01848505

 MMsINC code: MMs02371384
Type: Neutral
Formula: C16H22N2O2
SMILES:   O=C(CCN1CCCCC1)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C16H22N2O2/c1-13(19)17-15-7-5-14(6-8-15)16(20)9-12-18-10-3-2-4-11-18/h5-8H,2-4,9-12H2,1H3,(H,17,19)

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)=50.0101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.364 g/mol  logS: -2.4332  SlogP: 2.7037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0241945  Sterimol/B1: 2.62909  Sterimol/B2: 3.20477  Sterimol/B3: 3.24857
  Sterimol/B4: 6.20286  Sterimol/L: 17.6998 
 
 Surface and Volume Properties
  Accessible surface: 547.92  Positive charged surface: 387.668  Negative charged surface: 160.252  Volume: 282.5
  Hydrophobic surface: 461.782  Hydrophilic surface: 86.138
 
 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


MMs02371385
NCID-ZINC01848505