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ACROSORGANICS-ZINC03830879

 MMsINC code: MMs00015168
Type: Neutral
Formula: C6H12O6
SMILES:   O1CC(O)C(O)C(O)C1(O)CO
InChI:   InChI=1/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.8309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.156 g/mol  logS: 1.07472  SlogP: -3.2198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.248446  Sterimol/B1: 2.15312  Sterimol/B2: 2.44629  Sterimol/B3: 4.1496
  Sterimol/B4: 5.3367  Sterimol/L: 10.3554 
 
 Surface and Volume Properties
  Accessible surface: 336.657  Positive charged surface: 267.189  Negative charged surface: 69.4686  Volume: 148.25
  Hydrophobic surface: 129.834  Hydrophilic surface: 206.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00015169
ACROSORGANICS-ZINC03830879