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PUBCHEM-ZINC05820442

 MMsINC code: MMs03399432
Type: Neutral
Formula: C17H28O3
SMILES:   O1C(=CC(OC)=CC1=O)C(CCCCCC)CCCC
InChI:   InChI=1/C17H28O3/c1-4-6-8-9-11-14(10-7-5-2)16-12-15(19-3)13-17(18)20-16/h12-14H,4-11H2,1-3H3/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=37.6991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.408 g/mol  logS: -6.16402  SlogP: 4.7342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0666201  Sterimol/B1: 3.01706  Sterimol/B2: 4.7534  Sterimol/B3: 5.10741
  Sterimol/B4: 7.43698  Sterimol/L: 17.3099 
 
 Surface and Volume Properties
  Accessible surface: 604.078  Positive charged surface: 457.029  Negative charged surface: 147.049  Volume: 307.25
  Hydrophobic surface: 490.985  Hydrophilic surface: 113.093
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.