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FRINTON-ZINC01712907

 MMsINC code: MMs01727930
Type: Neutral
Formula: C12H24O2
SMILES:   OC(=O)C(CCCCC)CCCCC
InChI:   InChI=1/C12H24O2/c1-3-5-7-9-11(12(13)14)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=8.64341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.322 g/mol  logS: -4.11904  SlogP: 3.8478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0361545  Sterimol/B1: 2.61057  Sterimol/B2: 2.78449  Sterimol/B3: 3.05691
  Sterimol/B4: 5.2701  Sterimol/L: 17.2244 
 
 Surface and Volume Properties
  Accessible surface: 486.49  Positive charged surface: 376.009  Negative charged surface: 110.481  Volume: 230.5
  Hydrophobic surface: 365.964  Hydrophilic surface: 120.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs01727931
FRINTON-ZINC01712907