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PUBCHEM-ZINC06483104

 MMsINC code: MMs03759486
Type: Neutral
Formula: C9H18O6
SMILES:   O1C(COC)C(O)C(OC)C(OC)C1O
InChI:   InChI=1/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.4701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.237 g/mol  logS: 0.21441  SlogP: -1.2591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668156  Sterimol/B1: 2.9724  Sterimol/B2: 3.01091  Sterimol/B3: 4.29665
  Sterimol/B4: 4.88409  Sterimol/L: 13.0615 
 
 Surface and Volume Properties
  Accessible surface: 435.449  Positive charged surface: 381.634  Negative charged surface: 53.8151  Volume: 206.25
  Hydrophobic surface: 325.824  Hydrophilic surface: 109.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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
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Ions/Tautomers related molecules: no related molecules available.