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PUBCHEM-ZINC03925938

 MMsINC code: MMs03084724
Type: Neutral
Formula: C16H24O5
SMILES:   O1C(C)(C2(O)C(OC)C(=O)CCC23OC3)C1CC=C(C)C
InChI:   InChI=1/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3/t12-,13-,14+,15+,16+/m1/s1

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Potential Energy
Epot(MMFF94)=107.021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.363 g/mol  logS: -2.35709  SlogP: 1.3782  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.243725  Sterimol/B1: 4.36521  Sterimol/B2: 4.37431  Sterimol/B3: 4.45621
  Sterimol/B4: 5.58162  Sterimol/L: 13.1835 
 
 Surface and Volume Properties
  Accessible surface: 510.226  Positive charged surface: 335.822  Negative charged surface: 174.405  Volume: 293.375
  Hydrophobic surface: 418.178  Hydrophilic surface: 92.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.