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


NCID-ZINC04887008

 MMsINC code: MMs02412407
Type: Neutral
Formula: C11H19NO5
SMILES:   O1C2C(OC(OC2)(C)C)C(NC(=O)C)C1OC
InChI:   InChI=1/C11H19NO5/c1-6(13)12-8-9-7(16-10(8)14-4)5-15-11(2,3)17-9/h7-10H,5H2,1-4H3,(H,12,13)/t7-,8+,9-,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)=59.6814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.275 g/mol  logS: -1.22982  SlogP: 0.0139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134966  Sterimol/B1: 2.31123  Sterimol/B2: 3.20843  Sterimol/B3: 3.89078
  Sterimol/B4: 8.26004  Sterimol/L: 12.0345 
 
 Surface and Volume Properties
  Accessible surface: 467.751  Positive charged surface: 352.339  Negative charged surface: 115.412  Volume: 230.625
  Hydrophobic surface: 351.017  Hydrophilic surface: 116.734
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.