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ASINEX-ZINC04094033

 MMsINC code: MMs00303025
Type: Neutral
Formula: C16H28O2
SMILES:   O1C(OC(CC1(C)C)C)C1C(CC(=CC1C)C)C
InChI:   InChI=1/C16H28O2/c1-10-7-11(2)14(12(3)8-10)15-17-13(4)9-16(5,6)18-15/h7,11-15H,8-9H2,1-6H3/t11-,12-,13+,14-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=57.3793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.398 g/mol  logS: -3.45968  SlogP: 4.1549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116318  Sterimol/B1: 2.60053  Sterimol/B2: 2.94932  Sterimol/B3: 4.11843
  Sterimol/B4: 7.02465  Sterimol/L: 13.0271 
 
 Surface and Volume Properties
  Accessible surface: 495.577  Positive charged surface: 365.994  Negative charged surface: 129.583  Volume: 280
  Hydrophobic surface: 395.353  Hydrophilic surface: 100.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.