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PUBCHEM-ZINC05732183

 MMsINC code: MMs03363721
Type: Neutral
Formula: C9H18O6
SMILES:   O1C(CO)C(O)C(OC)C(OC)C1OC
InChI:   InChI=1/C9H18O6/c1-12-7-6(11)5(4-10)15-9(14-3)8(7)13-2/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)=79.5942 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: 0.228498  Sterimol/B1: 2.29395  Sterimol/B2: 3.1322  Sterimol/B3: 4.18411
  Sterimol/B4: 8.33431  Sterimol/L: 11.9009 
 
 Surface and Volume Properties
  Accessible surface: 428.404  Positive charged surface: 380.886  Negative charged surface: 47.5184  Volume: 207.25
  Hydrophobic surface: 325.113  Hydrophilic surface: 103.291
 
 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.