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NCID-ZINC05047988

 MMsINC code: MMs02432434
Type: Neutral
Formula: C8H16O6
SMILES:   O1C(C(O)C)C(O)C(O)C(O)C1OC
InChI:   InChI=1/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5+,6-,7+,8+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.0334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.21 g/mol  logS: 0.57756  SlogP: -2.1788  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243202  Sterimol/B1: 3.02065  Sterimol/B2: 3.46243  Sterimol/B3: 3.67838
  Sterimol/B4: 6.19635  Sterimol/L: 10.6224 
 
 Surface and Volume Properties
  Accessible surface: 386.929  Positive charged surface: 317.523  Negative charged surface: 69.4064  Volume: 186.375
  Hydrophobic surface: 215.881  Hydrophilic surface: 171.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.