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


PUBCHEM-ZINC06022531

 MMsINC code: MMs03497830
Type: Neutral
Formula: C11H19NO6
SMILES:   O1C2C(OC(OC2)(C)C)C(O)C(NC(=O)C)C1O
InChI:   InChI=1/C11H19NO6/c1-5(13)12-7-8(14)9-6(17-10(7)15)4-16-11(2,3)18-9/h6-10,14-15H,4H2,1-3H3,(H,12,13)/t6-,7+,8+,9+,10+/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)=66.0292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.274 g/mol  logS: -0.6821  SlogP: -1.2793  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268136  Sterimol/B1: 2.1387  Sterimol/B2: 3.18393  Sterimol/B3: 3.76312
  Sterimol/B4: 8.06896  Sterimol/L: 10.4883 
 
 Surface and Volume Properties
  Accessible surface: 438.12  Positive charged surface: 318.001  Negative charged surface: 120.119  Volume: 231.25
  Hydrophobic surface: 264.289  Hydrophilic surface: 173.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.