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PUBCHEM-ZINC04831383

 MMsINC code: MMs03177143
Type: Neutral
Formula: C10H18O6
SMILES:   O1C(C2OC(OCC2OC1C)C)C(O)CO
InChI:   InChI=1/C10H18O6/c1-5-13-4-8-10(15-5)9(7(12)3-11)16-6(2)14-8/h5-12H,3-4H2,1-2H3/t5-,6+,7+,8+,9-,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.248 g/mol  logS: -0.46958  SlogP: -0.769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158828  Sterimol/B1: 2.31918  Sterimol/B2: 3.08268  Sterimol/B3: 4.05232
  Sterimol/B4: 7.16798  Sterimol/L: 11.3402 
 
 Surface and Volume Properties
  Accessible surface: 430.388  Positive charged surface: 333.052  Negative charged surface: 97.3356  Volume: 209.625
  Hydrophobic surface: 266.641  Hydrophilic surface: 163.747
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.