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PUBCHEM-ZINC05651551

 MMsINC code: MMs03337805
Type: Neutral
Formula: C10H18O
SMILES:   OC(\C=C\C=C(C)C)(CC)C
InChI:   InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h6-8,11H,5H2,1-4H3/b8-6+/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=30.0037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.53394  SlogP: 2.6698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0930609  Sterimol/B1: 2.59762  Sterimol/B2: 3.03687  Sterimol/B3: 3.76049
  Sterimol/B4: 4.46714  Sterimol/L: 12.6612 
 
 Surface and Volume Properties
  Accessible surface: 400.1  Positive charged surface: 266.077  Negative charged surface: 134.023  Volume: 183.5
  Hydrophobic surface: 320.948  Hydrophilic surface: 79.152
 
 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.