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PUBCHEM-ZINC05836066

 MMsINC code: MMs03408053
Type: Neutral
Formula: C9H18O6
SMILES:   O1C(CO)C(O)C(O)C(O)C1OCCC
InChI:   InChI=1/C9H18O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h5-13H,2-4H2,1H3/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)=69.3335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.237 g/mol  logS: 0.37579  SlogP: -1.7871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0994363  Sterimol/B1: 3.13306  Sterimol/B2: 3.20684  Sterimol/B3: 4.88322
  Sterimol/B4: 5.22772  Sterimol/L: 12.4205 
 
 Surface and Volume Properties
  Accessible surface: 437.986  Positive charged surface: 352.291  Negative charged surface: 85.6952  Volume: 203.625
  Hydrophobic surface: 247.243  Hydrophilic surface: 190.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.