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PUBCHEM-ZINC05819303

 MMsINC code: MMs03398418
Type: Neutral
Formula: C10H20O
SMILES:   OC/C(=C/C(CC)C)/CCC
InChI:   InChI=1/C10H20O/c1-4-6-10(8-11)7-9(3)5-2/h7,9,11H,4-6,8H2,1-3H3/b10-7-/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=31.7209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.269 g/mol  logS: -2.80768  SlogP: 2.7513  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127577  Sterimol/B1: 2.82527  Sterimol/B2: 3.10162  Sterimol/B3: 3.93284
  Sterimol/B4: 5.69951  Sterimol/L: 12.6657 
 
 Surface and Volume Properties
  Accessible surface: 414.105  Positive charged surface: 309.569  Negative charged surface: 104.536  Volume: 187.875
  Hydrophobic surface: 288.819  Hydrophilic surface: 125.286
 
 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.