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


PUBCHEM-ZINC04095690

 MMsINC code: MMs03089492
Type: Neutral
Formula: C10H18O9
SMILES:   O1CC(O)C(O)C(O)C1OC1COC(O)C(O)C1O
InChI:   InChI=1/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9+,10+/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)=94.6466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.245 g/mol  logS: 1.13764  SlogP: -4.119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0996264  Sterimol/B1: 2.56585  Sterimol/B2: 2.66095  Sterimol/B3: 4.43657
  Sterimol/B4: 5.56098  Sterimol/L: 13.5608 
 
 Surface and Volume Properties
  Accessible surface: 473.652  Positive charged surface: 358.248  Negative charged surface: 115.404  Volume: 230.25
  Hydrophobic surface: 188.196  Hydrophilic surface: 285.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.