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


PUBCHEM-ZINC03613088

 MMsINC code: MMs03022270
Type: Neutral
Formula: C16H24N2O4
SMILES:   O(CC(CCC)(COC(=O)N)C)C(=O)NCc1ccccc1
InChI:   InChI=1/C16H24N2O4/c1-3-9-16(2,11-21-14(17)19)12-22-15(20)18-10-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,17,19)(H,18,20)/t16-/m0/s1

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)=6.69515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.378 g/mol  logS: -3.59896  SlogP: 3.0809  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0637312  Sterimol/B1: 2.21973  Sterimol/B2: 3.24695  Sterimol/B3: 4.14035
  Sterimol/B4: 7.36816  Sterimol/L: 18.6734 
 
 Surface and Volume Properties
  Accessible surface: 606.234  Positive charged surface: 407.275  Negative charged surface: 198.959  Volume: 309.25
  Hydrophobic surface: 395.028  Hydrophilic surface: 211.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.