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PUBCHEM-ZINC05370713

 MMsINC code: MMs03250015
Type: Neutral
Formula: C10H18O
SMILES:   OC1(CCCCC1)C(C=C)C
InChI:   InChI=1/C10H18O/c1-3-9(2)10(11)7-5-4-6-8-10/h3,9,11H,1,4-8H2,2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=38.0413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -1.75251  SlogP: 2.5037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272228  Sterimol/B1: 2.09792  Sterimol/B2: 3.08656  Sterimol/B3: 3.49948
  Sterimol/B4: 5.43637  Sterimol/L: 9.96598 
 
 Surface and Volume Properties
  Accessible surface: 353.931  Positive charged surface: 251.987  Negative charged surface: 101.944  Volume: 175.875
  Hydrophobic surface: 272.992  Hydrophilic surface: 80.939
 
 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.