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PUBCHEM-ZINC05964165

 MMsINC code: MMs03464520
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)=67.3528 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: 0.0615289  Sterimol/B1: 2.54582  Sterimol/B2: 3.31583  Sterimol/B3: 4.31312
  Sterimol/B4: 6.49091  Sterimol/L: 18.1075 
 
 Surface and Volume Properties
  Accessible surface: 608.046  Positive charged surface: 451.432  Negative charged surface: 156.614  Volume: 341
  Hydrophobic surface: 475.902  Hydrophilic surface: 132.144
 
 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.