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PUBCHEM-ZINC04096264

 MMsINC code: MMs03089819
Type: Neutral
Formula: C16H30O6
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC1CC(CCC1C(C)C)C
InChI:   InChI=1/C16H30O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h8-20H,4-7H2,1-3H3/t9-,10+,11-,12-,13-,14+,15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=88.3454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.41 g/mol  logS: -2.3138  SlogP: 0.2637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.231577  Sterimol/B1: 2.1531  Sterimol/B2: 3.50418  Sterimol/B3: 5.45952
  Sterimol/B4: 8.21827  Sterimol/L: 13.5673 
 
 Surface and Volume Properties
  Accessible surface: 555.715  Positive charged surface: 432.752  Negative charged surface: 122.963  Volume: 313.625
  Hydrophobic surface: 337.199  Hydrophilic surface: 218.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.