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


MDPI-ZINC03851447

 MMsINC code: MMs02183312
Type: Neutral
Formula: C14H21NO9
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(N)C1OC(=O)C
InChI:   InChI=1/C14H21NO9/c1-6(16)20-5-10-12(21-7(2)17)13(22-8(3)18)11(15)14(24-10)23-9(4)19/h10-14H,5,15H2,1-4H3/t10-,11+,12+,13-,14-/m1/s1

Download   format file 
Drug Similarity  |  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)=70.4796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.32 g/mol  logS: -1.11623  SlogP: -0.9718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203001  Sterimol/B1: 2.78822  Sterimol/B2: 4.1603  Sterimol/B3: 5.72654
  Sterimol/B4: 8.41088  Sterimol/L: 15.3089 
 
 Surface and Volume Properties
  Accessible surface: 603.752  Positive charged surface: 393.616  Negative charged surface: 210.136  Volume: 305.875
  Hydrophobic surface: 420.826  Hydrophilic surface: 182.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs02183313
MDPI-ZINC03851447