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


NCID-ZINC05732827

 MMsINC code: MMs02491742
Type: Neutral
Formula: C17H25NO10
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(N(C(=O)C)C)C1OC(=O)C
InChI:   InChI=1/C17H25NO10/c1-8(19)18(6)14-16(26-11(4)22)15(25-10(3)21)13(7-24-9(2)20)28-17(14)27-12(5)23/h13-17H,7H2,1-6H3/t13-,14+,15+,16+,17-/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)=87.0011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.384 g/mol  logS: -1.49881  SlogP: -0.4522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.723786  Sterimol/B1: 4.03937  Sterimol/B2: 5.04479  Sterimol/B3: 7.16602
  Sterimol/B4: 8.07125  Sterimol/L: 14.0692 
 
 Surface and Volume Properties
  Accessible surface: 643.346  Positive charged surface: 392.305  Negative charged surface: 251.041  Volume: 359.25
  Hydrophobic surface: 468.574  Hydrophilic surface: 174.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.