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PUBCHEM-ZINC05923662

 MMsINC code: MMs03445219
Type: Neutral
Formula: C10H20O
SMILES:   OC(CC\C(=C\C)\C)(CC)C
InChI:   InChI=1/C10H20O/c1-5-9(3)7-8-10(4,11)6-2/h5,11H,6-8H2,1-4H3/b9-5-/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=34.468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.269 g/mol  logS: -2.11181  SlogP: 2.8938  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13001  Sterimol/B1: 2.81528  Sterimol/B2: 3.71427  Sterimol/B3: 3.83945
  Sterimol/B4: 4.3737  Sterimol/L: 11.7266 
 
 Surface and Volume Properties
  Accessible surface: 388.6  Positive charged surface: 264.972  Negative charged surface: 123.628  Volume: 189.75
  Hydrophobic surface: 303.994  Hydrophilic surface: 84.606
 
 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.