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PUBCHEM-ZINC05766906

 MMsINC code: MMs03379872
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)=65.1341 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: 0.184208  Sterimol/B1: 2.30921  Sterimol/B2: 3.59677  Sterimol/B3: 3.5995
  Sterimol/B4: 7.40213  Sterimol/L: 12.206 
 
 Surface and Volume Properties
  Accessible surface: 449.898  Positive charged surface: 300.162  Negative charged surface: 149.736  Volume: 252.625
  Hydrophobic surface: 332.748  Hydrophilic surface: 117.15
 
 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.