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NCID-ZINC05063539

 MMsINC code: MMs02435194
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-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.8255 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: 0.222209  Sterimol/B1: 2.80201  Sterimol/B2: 3.50669  Sterimol/B3: 4.72348
  Sterimol/B4: 7.51069  Sterimol/L: 11.6737 
 
 Surface and Volume Properties
  Accessible surface: 433.652  Positive charged surface: 394.575  Negative charged surface: 39.0769  Volume: 208.25
  Hydrophobic surface: 340.75  Hydrophilic surface: 92.902
 
 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.