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PUBCHEM-ZINC05766849

 MMsINC code: MMs03379835
Type: Neutral
Formula: C10H16O
SMILES:   O=CC1CCC(=CC1(C)C)C
InChI:   InChI=1/C10H16O/c1-8-4-5-9(7-11)10(2,3)6-8/h6-7,9H,4-5H2,1-3H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=31.4652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -1.67413  SlogP: 2.5678  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.259774  Sterimol/B1: 3.37305  Sterimol/B2: 3.53053  Sterimol/B3: 3.58584
  Sterimol/B4: 4.83412  Sterimol/L: 9.91926 
 
 Surface and Volume Properties
  Accessible surface: 351.634  Positive charged surface: 237.83  Negative charged surface: 113.804  Volume: 170.75
  Hydrophobic surface: 260.716  Hydrophilic surface: 90.918
 
 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.