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PUBCHEM-ZINC05158632

 MMsINC code: MMs03214801
Type: Neutral
Formula: C20H34O
SMILES:   O(C\C=C(\CCC=C(C)C)/C)C\C=C(/CCC=C(C)C)\C
InChI:   InChI=1/C20H34O/c1-17(2)9-7-11-19(5)13-15-21-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3/b19-13-,20-14-

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Potential Energy
Epot(MMFF94)=68.1996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.491 g/mol  logS: -5.75496  SlogP: 6.3884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105768  Sterimol/B1: 2.22738  Sterimol/B2: 3.7617  Sterimol/B3: 4.79167
  Sterimol/B4: 7.87558  Sterimol/L: 13.5698 
 
 Surface and Volume Properties
  Accessible surface: 659.077  Positive charged surface: 455.509  Negative charged surface: 203.569  Volume: 353.375
  Hydrophobic surface: 597.077  Hydrophilic surface: 62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.