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


ENAMINE-ZINC03508360

 MMsINC code: MMs01481249
Type: Neutral
Formula: C16H27N3O5
SMILES:   O(C(=O)CNC(=O)C1CCCCC1)CC(=O)NC(=O)NC(C)(C)C
InChI:   InChI=1/C16H27N3O5/c1-16(2,3)19-15(23)18-12(20)10-24-13(21)9-17-14(22)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,17,22)(H2,18,19,20,23)

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)=39.4936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.408 g/mol  logS: -3.40853  SlogP: 0.8504  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0190641  Sterimol/B1: 2.53789  Sterimol/B2: 2.73192  Sterimol/B3: 4.44491
  Sterimol/B4: 5.17301  Sterimol/L: 21.9143 
 
 Surface and Volume Properties
  Accessible surface: 641.037  Positive charged surface: 463.53  Negative charged surface: 177.507  Volume: 329
  Hydrophobic surface: 416.227  Hydrophilic surface: 224.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.