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PUBCHEM-ZINC06067324

 MMsINC code: MMs03520259
Type: Neutral
Formula: C10H18O2
SMILES:   OC1(CCC(C=C1)C(O)(C)C)C
InChI:   InChI=1/C10H18O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h4,6,8,11-12H,5,7H2,1-3H3/t8-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=48.0622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.252 g/mol  logS: -0.98177  SlogP: 1.4745  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192763  Sterimol/B1: 2.9903  Sterimol/B2: 3.26126  Sterimol/B3: 3.78598
  Sterimol/B4: 4.14915  Sterimol/L: 11.0194 
 
 Surface and Volume Properties
  Accessible surface: 370.997  Positive charged surface: 265.737  Negative charged surface: 105.26  Volume: 183.625
  Hydrophobic surface: 229.484  Hydrophilic surface: 141.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.