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PUBCHEM-ZINC05766967

 MMsINC code: MMs03379911
Type: Neutral
Formula: C15H24O
SMILES:   O=CC(\C(=C/C1C(CCC=C1C)(C)C)\C)C
InChI:   InChI=1/C15H24O/c1-11-7-6-8-15(4,5)14(11)9-12(2)13(3)10-16/h7,9-10,13-14H,6,8H2,1-5H3/b12-9-/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=72.5932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.356 g/mol  logS: -4.16769  SlogP: 4.1502  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.268683  Sterimol/B1: 2.37366  Sterimol/B2: 3.55812  Sterimol/B3: 4.34261
  Sterimol/B4: 7.30862  Sterimol/L: 11.159 
 
 Surface and Volume Properties
  Accessible surface: 439.079  Positive charged surface: 296.471  Negative charged surface: 142.607  Volume: 251
  Hydrophobic surface: 332.139  Hydrophilic surface: 106.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.