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PUBCHEM-ZINC05767957

 MMsINC code: MMs03380491
Type: Neutral
Formula: C10H20O
SMILES:   OC(CCC(CC)=C)(CC)C
InChI:   InChI=1/C10H20O/c1-5-9(3)7-8-10(4,11)6-2/h11H,3,5-8H2,1-2,4H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=28.3117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.269 g/mol  logS: -2.29663  SlogP: 2.8938  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114557  Sterimol/B1: 2.36483  Sterimol/B2: 2.54638  Sterimol/B3: 3.70244
  Sterimol/B4: 5.11547  Sterimol/L: 12.3112 
 
 Surface and Volume Properties
  Accessible surface: 397.862  Positive charged surface: 273.194  Negative charged surface: 124.668  Volume: 190.875
  Hydrophobic surface: 273.993  Hydrophilic surface: 123.869
 
 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.