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PUBCHEM-ZINC05765369

 MMsINC code: MMs03378958
Type: Neutral
Formula: C10H16O
SMILES:   O=CC1C2CC(CC2)C1(C)C
InChI:   InChI=1/C10H16O/c1-10(2)8-4-3-7(5-8)9(10)6-11/h6-9H,3-5H2,1-2H3/t7-,8+,9+/m0/s1

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Potential Energy
Epot(MMFF94)=65.0371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -2.92123  SlogP: 2.2576  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.496441  Sterimol/B1: 2.69954  Sterimol/B2: 3.7251  Sterimol/B3: 4.31409
  Sterimol/B4: 4.34189  Sterimol/L: 8.73553 
 
 Surface and Volume Properties
  Accessible surface: 335.866  Positive charged surface: 229.336  Negative charged surface: 106.53  Volume: 167.25
  Hydrophobic surface: 253.844  Hydrophilic surface: 82.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.