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


NCID-ZINC05664305

 MMsINC code: MMs02485047
Type: Neutral
Formula: C15H23NO9
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(NC)C1OC(=O)C
InChI:   InChI=1/C15H23NO9/c1-7(17)21-6-11-13(22-8(2)18)14(23-9(3)19)12(16-5)15(25-11)24-10(4)20/h11-16H,6H2,1-5H3/t11-,12-,13+,14+,15+/m0/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)=67.7836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.347 g/mol  logS: -1.19181  SlogP: -0.7111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.37919  Sterimol/B1: 3.45198  Sterimol/B2: 4.44289  Sterimol/B3: 5.88713
  Sterimol/B4: 9.10405  Sterimol/L: 13.4497 
 
 Surface and Volume Properties
  Accessible surface: 610.954  Positive charged surface: 406.23  Negative charged surface: 204.725  Volume: 323
  Hydrophobic surface: 459.625  Hydrophilic surface: 151.329
 
 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: no related molecules available.