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PUBCHEM-ZINC05824802

 MMsINC code: MMs03402140
Type: Neutral
Formula: C18H30O
SMILES:   O=C(CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)C
InChI:   InChI=1/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11-,17-13-

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Potential Energy
Epot(MMFF94)=57.6378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.437 g/mol  logS: -5.18474  SlogP: 5.7748  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0968002  Sterimol/B1: 3.18463  Sterimol/B2: 4.59367  Sterimol/B3: 5.08627
  Sterimol/B4: 5.6202  Sterimol/L: 16.7369 
 
 Surface and Volume Properties
  Accessible surface: 594.854  Positive charged surface: 400.846  Negative charged surface: 194.009  Volume: 314.25
  Hydrophobic surface: 523.432  Hydrophilic surface: 71.422
 
 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.