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NCID-ZINC05047973

 MMsINC code: MMs02432425
Type: Neutral
Formula: C8H16O6
SMILES:   O1C(C(O)C(O)C)C(O)C(O)C1OC
InChI:   InChI=1/C8H16O6/c1-3(9)4(10)7-5(11)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6+,7-,8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.4914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.21 g/mol  logS: 0.57756  SlogP: -2.1788  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133591  Sterimol/B1: 2.61531  Sterimol/B2: 3.30447  Sterimol/B3: 3.56886
  Sterimol/B4: 5.31804  Sterimol/L: 10.9888 
 
 Surface and Volume Properties
  Accessible surface: 400.983  Positive charged surface: 325.388  Negative charged surface: 75.5951  Volume: 186.125
  Hydrophobic surface: 224.858  Hydrophilic surface: 176.125
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.