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IBS-ZINC04827425

 MMsINC code: MMs01899193
Type: Neutral
Formula: C15H28O
SMILES:   O1C(CC(CC1C)=C)CC(CC(C)(C)C)C
InChI:   InChI=1/C15H28O/c1-11-7-13(3)16-14(8-11)9-12(2)10-15(4,5)6/h12-14H,1,7-10H2,2-6H3/t12-,13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=89.9746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.388 g/mol  logS: -4.41264  SlogP: 4.5725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120252  Sterimol/B1: 2.10498  Sterimol/B2: 2.89257  Sterimol/B3: 4.23637
  Sterimol/B4: 5.63026  Sterimol/L: 14.4094 
 
 Surface and Volume Properties
  Accessible surface: 479.973  Positive charged surface: 342.172  Negative charged surface: 137.801  Volume: 263.125
  Hydrophobic surface: 357.862  Hydrophilic surface: 122.111
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.