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


CHEMDIV-ZINC02030695

 MMsINC code: MMs00869997
Type: Neutral
Formula: C14H26N2O5
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NCC(OC)=O
InChI:   InChI=1/C14H26N2O5/c1-9(2)7-10(12(18)15-8-11(17)20-6)16-13(19)21-14(3,4)5/h9-10H,7-8H2,1-6H3,(H,15,18)(H,16,19)/t10-/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)=61.8904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.371 g/mol  logS: -2.96172  SlogP: 1.215  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0661202  Sterimol/B1: 2.0845  Sterimol/B2: 2.56891  Sterimol/B3: 4.31077
  Sterimol/B4: 7.72797  Sterimol/L: 17.9131 
 
 Surface and Volume Properties
  Accessible surface: 581.878  Positive charged surface: 425.173  Negative charged surface: 156.705  Volume: 300
  Hydrophobic surface: 370.478  Hydrophilic surface: 211.4
 
 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.