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PUBCHEM-ZINC04557076

 MMsINC code: MMs03133756
Type: Neutral
Formula: C17H34O2
SMILES:   OC(=O)CCCCCCCCCCCCCC(C)C
InChI:   InChI=1/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=1.56631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.457 g/mol  logS: -7.00859  SlogP: 5.7983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0144751  Sterimol/B1: 2.11471  Sterimol/B2: 2.51012  Sterimol/B3: 3.47121
  Sterimol/B4: 4.40079  Sterimol/L: 24.3694 
 
 Surface and Volume Properties
  Accessible surface: 651.479  Positive charged surface: 516.245  Negative charged surface: 135.234  Volume: 317.25
  Hydrophobic surface: 510.619  Hydrophilic surface: 140.86
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03133757
PUBCHEM-ZINC04557076