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


PUBCHEM-ZINC06616322

 MMsINC code: MMs03821569
Type: Neutral
Formula: C15H30N2O4
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NCCCOC
InChI:   InChI=1/C15H30N2O4/c1-11(2)10-12(13(18)16-8-7-9-20-6)17-14(19)21-15(3,4)5/h11-12H,7-10H2,1-6H3,(H,16,18)(H,17,19)/t12-/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)=52.7285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.415 g/mol  logS: -2.89796  SlogP: 2.0785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511612  Sterimol/B1: 2.16629  Sterimol/B2: 2.79577  Sterimol/B3: 3.64751
  Sterimol/B4: 8.28489  Sterimol/L: 19.0174 
 
 Surface and Volume Properties
  Accessible surface: 604.394  Positive charged surface: 464.858  Negative charged surface: 139.536  Volume: 318
  Hydrophobic surface: 442.052  Hydrophilic surface: 162.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.