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PUBCHEM-ZINC05855130

 MMsINC code: MMs03419203
Type: Neutral
Formula: C14H26O3
SMILES:   OC(=O)CCCCCCCCCCCC(=O)C
InChI:   InChI=1/C14H26O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h2-12H2,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=0.624296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.359 g/mol  logS: -3.69901  SlogP: 3.9511  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0155339  Sterimol/B1: 2.3754  Sterimol/B2: 2.37557  Sterimol/B3: 2.53773
  Sterimol/B4: 3.56095  Sterimol/L: 21.8493 
 
 Surface and Volume Properties
  Accessible surface: 572.775  Positive charged surface: 426.144  Negative charged surface: 146.631  Volume: 267.375
  Hydrophobic surface: 435.87  Hydrophilic surface: 136.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03419204
PUBCHEM-ZINC05855130