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


PUBCHEM-ZINC06067060

 MMsINC code: MMs03519968
Type: Neutral
Formula: C10H20O5
SMILES:   O1C(C)C(OC)C(OC)(C)C(OC)C1O
InChI:   InChI=1/C10H20O5/c1-6-7(12-3)10(2,14-5)8(13-4)9(11)15-6/h6-9,11H,1-5H3/t6-,7+,8+,9+,10+/m0/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)=100.282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.265 g/mol  logS: -0.64255  SlogP: 0.1586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.349703  Sterimol/B1: 2.52267  Sterimol/B2: 3.79099  Sterimol/B3: 4.19003
  Sterimol/B4: 7.37649  Sterimol/L: 10.9509 
 
 Surface and Volume Properties
  Accessible surface: 414.779  Positive charged surface: 354.629  Negative charged surface: 60.1497  Volume: 214.625
  Hydrophobic surface: 321.326  Hydrophilic surface: 93.453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.