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PUBCHEM-ZINC05158140

 MMsINC code: MMs03214459
Type: Neutral
Formula: C10H16O
SMILES:   OC(C=C)(C\C=C\C(C)=C)C
InChI:   InChI=1/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6+/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=32.9713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -2.36616  SlogP: 2.4458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104072  Sterimol/B1: 2.06667  Sterimol/B2: 3.48457  Sterimol/B3: 3.66271
  Sterimol/B4: 4.84415  Sterimol/L: 13.0653 
 
 Surface and Volume Properties
  Accessible surface: 390.392  Positive charged surface: 229.661  Negative charged surface: 160.732  Volume: 181.875
  Hydrophobic surface: 255.201  Hydrophilic surface: 135.191
 
 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.