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PUBCHEM-ZINC05964166

 MMsINC code: MMs03464521
Type: Neutral
Formula: C20H34O
SMILES:   OC\C=C(\CCCC(\C=C\C=1C(CCCC=1C)(C)C)C)/C
InChI:   InChI=1/C20H34O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h11-13,16,21H,6-10,14-15H2,1-5H3/b12-11+,17-13-/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=67.9646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.491 g/mol  logS: -6.73961  SlogP: 5.8142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101551  Sterimol/B1: 2.53703  Sterimol/B2: 2.55727  Sterimol/B3: 5.68955
  Sterimol/B4: 6.44982  Sterimol/L: 16.358 
 
 Surface and Volume Properties
  Accessible surface: 606.269  Positive charged surface: 445.63  Negative charged surface: 160.638  Volume: 342.625
  Hydrophobic surface: 474.255  Hydrophilic surface: 132.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.