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PUBCHEM-ZINC03070131

 MMsINC code: MMs02989163
Type: Neutral
Formula: C10H18O
SMILES:   OC1CCCC\C=C\CCC1
InChI:   InChI=1/C10H18O/c11-10-8-6-4-2-1-3-5-7-9-10/h1-2,10-11H,3-9H2/b2-1+/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=63.6465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -1.7557  SlogP: 2.6478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.274034  Sterimol/B1: 2.68018  Sterimol/B2: 3.59455  Sterimol/B3: 3.6134
  Sterimol/B4: 4.3829  Sterimol/L: 9.99583 
 
 Surface and Volume Properties
  Accessible surface: 343.662  Positive charged surface: 272.706  Negative charged surface: 70.9558  Volume: 174.75
  Hydrophobic surface: 300.973  Hydrophilic surface: 42.689
 
 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.