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PUBCHEM-ZINC02035707

 MMsINC code: MMs02861142
Type: Neutral
Formula: C10H16O
SMILES:   OC(C=C)(C\C(=C\C=C)\C)C
InChI:   InChI=1/C10H16O/c1-5-7-9(3)8-10(4,11)6-2/h5-7,11H,1-2,8H2,3-4H3/b9-7-/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=49.176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -2.36616  SlogP: 2.4458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149391  Sterimol/B1: 2.07118  Sterimol/B2: 3.04509  Sterimol/B3: 3.55013
  Sterimol/B4: 6.63911  Sterimol/L: 11.4424 
 
 Surface and Volume Properties
  Accessible surface: 372.917  Positive charged surface: 220.769  Negative charged surface: 152.148  Volume: 177.375
  Hydrophobic surface: 250.476  Hydrophilic surface: 122.441
 
 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.