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PUBCHEM-ZINC05767484

 MMsINC code: MMs03380228
Type: Neutral
Formula: C15H20O5
SMILES:   O1CC12C1OC3C=C(C)C(=O)CC3(CO)C2(CC1O)C
InChI:   InChI=1/C15H20O5/c1-8-3-11-14(6-16,5-9(8)17)13(2)4-10(18)12(20-11)15(13)7-19-15/h3,10-12,16,18H,4-7H2,1-2H3/t10-,11+,12+,13+,14+,15-/m0/s1

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Potential Energy
Epot(MMFF94)=126.107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.32 g/mol  logS: -1.2329  SlogP: 0.1915  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.348883  Sterimol/B1: 3.44304  Sterimol/B2: 4.04565  Sterimol/B3: 4.59194
  Sterimol/B4: 4.86068  Sterimol/L: 11.5588 
 
 Surface and Volume Properties
  Accessible surface: 441.457  Positive charged surface: 287.869  Negative charged surface: 153.588  Volume: 253
  Hydrophobic surface: 272.962  Hydrophilic surface: 168.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.