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PUBCHEM-ZINC05765363

 MMsINC code: MMs03378954
Type: Neutral
Formula: C11H20O2
SMILES:   O(C)C1(OC)C2CC(CC2)C1(C)C
InChI:   InChI=1/C11H20O2/c1-10(2)8-5-6-9(7-8)11(10,12-3)13-4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=96.8546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.279 g/mol  logS: -1.90619  SlogP: 2.4316  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.441864  Sterimol/B1: 1.969  Sterimol/B2: 3.59367  Sterimol/B3: 5.4632
  Sterimol/B4: 5.59884  Sterimol/L: 9.75084 
 
 Surface and Volume Properties
  Accessible surface: 369.645  Positive charged surface: 300.082  Negative charged surface: 69.5639  Volume: 197.125
  Hydrophobic surface: 333.612  Hydrophilic surface: 36.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.