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ACROSORGANICS-ZINC06661641

 MMsINC code: MMs00018991
Type: Neutral
Formula: C14H24O
SMILES:   OC/C(=C\CC1CC=C(C)C1(C)C)/CC
InChI:   InChI=1/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=51.8191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.345 g/mol  logS: -3.41738  SlogP: 3.6976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184921  Sterimol/B1: 2.52288  Sterimol/B2: 3.16099  Sterimol/B3: 4.85571
  Sterimol/B4: 6.09533  Sterimol/L: 12.1797 
 
 Surface and Volume Properties
  Accessible surface: 451.734  Positive charged surface: 331.085  Negative charged surface: 120.649  Volume: 243.125
  Hydrophobic surface: 324.257  Hydrophilic surface: 127.477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.