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


NCID-ZINC04403103

 MMsINC code: MMs02384578
Type: Neutral
Formula: C8H18O8
SMILES:   OC(C(O)C(O)C(O)CO)C(O)C(O)CO
InChI:   InChI=1/C8H18O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3-16H,1-2H2/t3-,4-,5-,6+,7-,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)=113.674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.224 g/mol  logS: 2.02978  SlogP: -4.8636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619908  Sterimol/B1: 2.53591  Sterimol/B2: 3.37926  Sterimol/B3: 3.62109
  Sterimol/B4: 3.80796  Sterimol/L: 15.3515 
 
 Surface and Volume Properties
  Accessible surface: 431.391  Positive charged surface: 311.629  Negative charged surface: 119.762  Volume: 210.625
  Hydrophobic surface: 144.1  Hydrophilic surface: 287.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.