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


PUBCHEM-ZINC05984518

 MMsINC code: MMs03476932
Type: Neutral
Formula: C12H24N2O5
SMILES:   O(C(OC)CNC(=O)NC(C(CC)C)C(OC)=O)C
InChI:   InChI=1/C12H24N2O5/c1-6-8(2)10(11(15)19-5)14-12(16)13-7-9(17-3)18-4/h8-10H,6-7H2,1-5H3,(H2,13,14,16)/t8-,10+/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)=40.1846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.333 g/mol  logS: -1.42448  SlogP: 0.4922  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0847241  Sterimol/B1: 2.11116  Sterimol/B2: 2.52631  Sterimol/B3: 4.79843
  Sterimol/B4: 7.77822  Sterimol/L: 15.2341 
 
 Surface and Volume Properties
  Accessible surface: 550.085  Positive charged surface: 448.116  Negative charged surface: 101.969  Volume: 274.125
  Hydrophobic surface: 412.839  Hydrophilic surface: 137.246
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.