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


NCID-ZINC04802562

 MMsINC code: MMs02407590
Type: Neutral
Formula: C11H21NO5
SMILES:   O1C(C2OC(OC2C1OC)(C)C)CNCCO
InChI:   InChI=1/C11H21NO5/c1-11(2)16-8-7(6-12-4-5-13)15-10(14-3)9(8)17-11/h7-10,12-13H,4-6H2,1-3H3/t7-,8+,9+,10-/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)=78.879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.291 g/mol  logS: -0.61429  SlogP: -0.5403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165279  Sterimol/B1: 2.2982  Sterimol/B2: 2.53378  Sterimol/B3: 5.48271
  Sterimol/B4: 8.26268  Sterimol/L: 12.8195 
 
 Surface and Volume Properties
  Accessible surface: 492.133  Positive charged surface: 407.95  Negative charged surface: 84.1825  Volume: 238.25
  Hydrophobic surface: 353.332  Hydrophilic surface: 138.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs02407591
NCID-ZINC04802562