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PUBCHEM-ZINC06229059

 MMsINC code: MMs03624105
Type: Neutral
Formula: C10H20O6
SMILES:   O1C(OC)(CO)C(OC)C(OC)C1COC
InChI:   InChI=1/C10H20O6/c1-12-5-7-8(13-2)9(14-3)10(6-11,15-4)16-7/h7-9,11H,5-6H2,1-4H3/t7-,8-,9+,10+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.264 g/mol  logS: -0.306  SlogP: -0.6034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.225749  Sterimol/B1: 3.25689  Sterimol/B2: 3.86257  Sterimol/B3: 4.71189
  Sterimol/B4: 6.67403  Sterimol/L: 11.5276 
 
 Surface and Volume Properties
  Accessible surface: 467.915  Positive charged surface: 418.667  Negative charged surface: 49.2483  Volume: 226.25
  Hydrophobic surface: 385.465  Hydrophilic surface: 82.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.