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


NCID-ZINC01673350

 MMsINC code: MMs02309262
Type: Neutral
Formula: C10H18O7
SMILES:   O(C(=O)C(O)C)CCOCCOC(=O)C(O)C
InChI:   InChI=1/C10H18O7/c1-7(11)9(13)16-5-3-15-4-6-17-10(14)8(2)12/h7-8,11-12H,3-6H2,1-2H3/t7-,8-/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)=62.2868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.247 g/mol  logS: -0.79886  SlogP: -1.149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.091804  Sterimol/B1: 2.81924  Sterimol/B2: 3.72255  Sterimol/B3: 4.55931
  Sterimol/B4: 4.73947  Sterimol/L: 14.9672 
 
 Surface and Volume Properties
  Accessible surface: 532.238  Positive charged surface: 393.855  Negative charged surface: 138.383  Volume: 229
  Hydrophobic surface: 314.642  Hydrophilic surface: 217.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.