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PUBCHEM-ZINC05509305

 MMsINC code: MMs03291267
Type: Neutral
Formula: C14H26O
SMILES:   O=C(CC(C)(C)C1CCC(CC1)CC)C
InChI:   InChI=1/C14H26O/c1-5-12-6-8-13(9-7-12)14(3,4)10-11(2)15/h12-13H,5-10H2,1-4H3/t12-,13-

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Potential Energy
Epot(MMFF94)=63.0422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.361 g/mol  logS: -5.18854  SlogP: 4.2081  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0972399  Sterimol/B1: 2.61087  Sterimol/B2: 3.21004  Sterimol/B3: 3.44378
  Sterimol/B4: 5.3947  Sterimol/L: 14.4654 
 
 Surface and Volume Properties
  Accessible surface: 446.255  Positive charged surface: 326.721  Negative charged surface: 119.534  Volume: 244.375
  Hydrophobic surface: 373.098  Hydrophilic surface: 73.157
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.