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


NCID-ZINC05602168

 MMsINC code: MMs02479587
Type: Neutral
Formula: C16H23NO9
SMILES:   O(C(=O)C)C1C(OC(=O)C)C(N(C(=O)C)C1COC(=O)C)COC(=O)C
InChI:   InChI=1/C16H23NO9/c1-8(18)17-13(6-23-9(2)19)15(25-11(4)21)16(26-12(5)22)14(17)7-24-10(3)20/h13-16H,6-7H2,1-5H3/t13-,14-,15+,16+/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)=94.9827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.358 g/mol  logS: -1.47544  SlogP: -0.4247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.30368  Sterimol/B1: 3.64497  Sterimol/B2: 4.69032  Sterimol/B3: 5.87405
  Sterimol/B4: 8.75327  Sterimol/L: 13.4261 
 
 Surface and Volume Properties
  Accessible surface: 623.242  Positive charged surface: 397.197  Negative charged surface: 226.045  Volume: 330.875
  Hydrophobic surface: 468.324  Hydrophilic surface: 154.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.