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


PUBCHEM-ZINC05764051

 MMsINC code: MMs03377447
Type: Neutral
Formula: C11H21NO7
SMILES:   O1C(C)C(NC(=O)C(O)CCO)C(O)C(O)C1OC
InChI:   InChI=1/C11H21NO7/c1-5-7(12-10(17)6(14)3-4-13)8(15)9(16)11(18-2)19-5/h5-9,11,13-16H,3-4H2,1-2H3,(H,12,17)/t5-,6+,7-,8+,9+,11+/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)=78.5509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.289 g/mol  logS: 0.20322  SlogP: -2.6725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152147  Sterimol/B1: 2.28251  Sterimol/B2: 3.6367  Sterimol/B3: 5.29832
  Sterimol/B4: 5.34606  Sterimol/L: 13.667 
 
 Surface and Volume Properties
  Accessible surface: 496.942  Positive charged surface: 383.398  Negative charged surface: 113.544  Volume: 249.75
  Hydrophobic surface: 255.604  Hydrophilic surface: 241.338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.