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IBS-ZINC02339551

 MMsINC code: MMs01836877
Type: Neutral
Formula: C15H24O
SMILES:   O=C1CC(CC(C)C1C1C2CC(C1)CC2)C
InChI:   InChI=1/C15H24O/c1-9-5-10(2)15(14(16)6-9)13-8-11-3-4-12(13)7-11/h9-13,15H,3-8H2,1-2H3/t9-,10+,11+,12-,13-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=173.834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.356 g/mol  logS: -4.87278  SlogP: 3.6739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.296128  Sterimol/B1: 2.35526  Sterimol/B2: 2.92582  Sterimol/B3: 5.45673
  Sterimol/B4: 6.83312  Sterimol/L: 11.1217 
 
 Surface and Volume Properties
  Accessible surface: 415.27  Positive charged surface: 304.639  Negative charged surface: 110.631  Volume: 237
  Hydrophobic surface: 344.231  Hydrophilic surface: 71.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.