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PUBCHEM-ZINC05158876

 MMsINC code: MMs03214923
Type: Neutral
Formula: C10H16O
SMILES:   O=CC(C(C)=C)CC=C(C)C
InChI:   InChI=1/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5,7,10H,3,6H2,1-2,4H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=36.5932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -2.1855  SlogP: 2.7339  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.131994  Sterimol/B1: 1.969  Sterimol/B2: 3.10428  Sterimol/B3: 4.21262
  Sterimol/B4: 4.99155  Sterimol/L: 11.5926 
 
 Surface and Volume Properties
  Accessible surface: 383.493  Positive charged surface: 241.924  Negative charged surface: 141.569  Volume: 179.5
  Hydrophobic surface: 290.547  Hydrophilic surface: 92.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.