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PUBCHEM-ZINC06066910

 MMsINC code: MMs03519817
Type: Neutral
Formula: C10H20O5
SMILES:   O1C(C)C(OC)C(OC)(C)C(OC)C1O
InChI:   InChI=1/C10H20O5/c1-6-7(12-3)10(2,14-5)8(13-4)9(11)15-6/h6-9,11H,1-5H3/t6-,7-,8+,9+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.7154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.265 g/mol  logS: -0.64255  SlogP: 0.1586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.267899  Sterimol/B1: 2.49084  Sterimol/B2: 2.61819  Sterimol/B3: 5.15232
  Sterimol/B4: 6.97273  Sterimol/L: 11.258 
 
 Surface and Volume Properties
  Accessible surface: 409.725  Positive charged surface: 345.471  Negative charged surface: 64.2536  Volume: 215.125
  Hydrophobic surface: 312.142  Hydrophilic surface: 97.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.