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PUBCHEM-ZINC05351657

 MMsINC code: MMs03245727
Type: Neutral
Formula: C15H22O2
SMILES:   O=C1C(=CC(C=C1C(C)(C)C)=C)C(CO)(C)C
InChI:   InChI=1/C15H22O2/c1-10-7-11(14(2,3)4)13(17)12(8-10)15(5,6)9-16/h7-8,16H,1,9H2,2-6H3

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Potential Energy
Epot(MMFF94)=78.1785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.339 g/mol  logS: -3.55676  SlogP: 3.0427  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.13249  Sterimol/B1: 3.62317  Sterimol/B2: 3.62516  Sterimol/B3: 4.05412
  Sterimol/B4: 5.34739  Sterimol/L: 13.1511 
 
 Surface and Volume Properties
  Accessible surface: 470.402  Positive charged surface: 306.035  Negative charged surface: 158.389  Volume: 256.375
  Hydrophobic surface: 296.007  Hydrophilic surface: 174.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.