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CHEMBLOCK-ZINC04686977

 MMsINC code: MMs00569025
Type: Neutral
Formula: C15H24O
SMILES:   O=C(C(C)C12CC3CC(C1)CC(C2)C3)CC
InChI:   InChI=1/C15H24O/c1-3-14(16)10(2)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,3-9H2,1-2H3/t10-,11-,12+,13-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=58.7695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.356 g/mol  logS: -4.87278  SlogP: 3.818  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.210488  Sterimol/B1: 2.94264  Sterimol/B2: 3.8076  Sterimol/B3: 4.08052
  Sterimol/B4: 5.61343  Sterimol/L: 12.3387 
 
 Surface and Volume Properties
  Accessible surface: 432.567  Positive charged surface: 333.849  Negative charged surface: 98.7172  Volume: 238.625
  Hydrophobic surface: 379.316  Hydrophilic surface: 53.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.