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PUBCHEM-ZINC06031665

 MMsINC code: MMs03504269
Type: Neutral
Formula: C8H14O6
SMILES:   O1C2C(OC(OC2)C)C(O)C(O)C1O
InChI:   InChI=1/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3/t3-,4-,5-,6-,7-,8+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.1726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.194 g/mol  logS: 0.20281  SlogP: -1.8132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117516  Sterimol/B1: 2.69865  Sterimol/B2: 3.45603  Sterimol/B3: 3.67419
  Sterimol/B4: 5.09722  Sterimol/L: 11.7576 
 
 Surface and Volume Properties
  Accessible surface: 381.684  Positive charged surface: 290.376  Negative charged surface: 91.3083  Volume: 176.5
  Hydrophobic surface: 198.329  Hydrophilic surface: 183.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.