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


NCID-ZINC05496416

 MMsINC code: MMs02467817
Type: Neutral
Formula: C19H36N2O5
SMILES:   O(C(C)(C)C)C(=O)C(NC(=O)C(NC(OCC)=O)CC(C)C)CC(C)C
InChI:   InChI=1/C19H36N2O5/c1-9-25-18(24)21-14(10-12(2)3)16(22)20-15(11-13(4)5)17(23)26-19(6,7)8/h12-15H,9-11H2,1-8H3,(H,20,22)(H,21,24)/t14-,15+/m1/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)=79.0151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.506 g/mol  logS: -4.84835  SlogP: 3.0198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127633  Sterimol/B1: 2.88847  Sterimol/B2: 3.40106  Sterimol/B3: 6.66776
  Sterimol/B4: 6.79284  Sterimol/L: 18.5277 
 
 Surface and Volume Properties
  Accessible surface: 704.029  Positive charged surface: 508.218  Negative charged surface: 195.811  Volume: 386.25
  Hydrophobic surface: 470.568  Hydrophilic surface: 233.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.