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PUBCHEM-ZINC05178630

 MMsINC code: MMs03220928
Type: Neutral
Formula: C18H34O4
SMILES:   OC(=O)CCCCCCCCCCCCCCCCC(O)=O
InChI:   InChI=1/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)

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Potential Energy
Epot(MMFF94)=-8.25236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.466 g/mol  logS: -5.93224  SlogP: 5.3972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00962872  Sterimol/B1: 2.375  Sterimol/B2: 2.37591  Sterimol/B3: 2.83575
  Sterimol/B4: 3.70814  Sterimol/L: 27.7778 
 
 Surface and Volume Properties
  Accessible surface: 695.949  Positive charged surface: 535.754  Negative charged surface: 160.195  Volume: 348.125
  Hydrophobic surface: 498.543  Hydrophilic surface: 197.406
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03220929
PUBCHEM-ZINC05178630