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NCID-ZINC05732062

 MMsINC code: MMs02491307
Type: Neutral
Formula: C8H16O6
SMILES:   O1C(CO)C(OC)C(O)C(O)C1OC
InChI:   InChI=1/C8H16O6/c1-12-7-4(3-9)14-8(13-2)6(11)5(7)10/h4-11H,3H2,1-2H3/t4-,5+,6-,7-,8+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.21 g/mol  logS: 0.55959  SlogP: -1.9132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184314  Sterimol/B1: 2.87958  Sterimol/B2: 3.6969  Sterimol/B3: 3.75471
  Sterimol/B4: 6.3202  Sterimol/L: 11.1682 
 
 Surface and Volume Properties
  Accessible surface: 398.638  Positive charged surface: 343.793  Negative charged surface: 54.8452  Volume: 188.125
  Hydrophobic surface: 254.853  Hydrophilic surface: 143.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.