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ALFAAESAR-ZINC05225349

 MMsINC code: MMs00025449
Type: Neutral
Formula: C10H18O
SMILES:   OC(\C=C/C)C1CCCCC1
InChI:   InChI=1/C10H18O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,6,9-11H,3-5,7-8H2,1H3/b6-2-/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=20.345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.389  SlogP: 2.5037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185904  Sterimol/B1: 2.17474  Sterimol/B2: 3.29677  Sterimol/B3: 4.46405
  Sterimol/B4: 4.84632  Sterimol/L: 10.8631 
 
 Surface and Volume Properties
  Accessible surface: 367.263  Positive charged surface: 271.944  Negative charged surface: 95.3192  Volume: 178.25
  Hydrophobic surface: 304.677  Hydrophilic surface: 62.586
 
 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.