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PUBCHEM-ZINC03619303

 MMsINC code: MMs03023719
Type: Neutral
Formula: C16H30O4
SMILES:   OC(=O)C(CCCCCCCCC(C(O)=O)(C)C)(C)C
InChI:   InChI=1/C16H30O4/c1-15(2,13(17)18)11-9-7-5-6-8-10-12-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=33.2238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.412 g/mol  logS: -3.648  SlogP: 4.3288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397667  Sterimol/B1: 2.37489  Sterimol/B2: 3.00367  Sterimol/B3: 4.77939
  Sterimol/B4: 4.87434  Sterimol/L: 20.1507 
 
 Surface and Volume Properties
  Accessible surface: 589.751  Positive charged surface: 415.715  Negative charged surface: 174.036  Volume: 304.625
  Hydrophobic surface: 356.852  Hydrophilic surface: 232.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03023720
PUBCHEM-ZINC03619303