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PUBCHEM-ZINC01911381

 MMsINC code: MMs02829554
Type: Neutral
Formula: C15H30O2
SMILES:   OC(=O)CCCCCCCCCCCC(C)C
InChI:   InChI=1/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=1.56205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.403 g/mol  logS: -5.97815  SlogP: 5.0181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0185704  Sterimol/B1: 2.34859  Sterimol/B2: 2.70014  Sterimol/B3: 3.267
  Sterimol/B4: 4.20978  Sterimol/L: 21.8691 
 
 Surface and Volume Properties
  Accessible surface: 586.413  Positive charged surface: 462.724  Negative charged surface: 123.689  Volume: 284.5
  Hydrophobic surface: 443.702  Hydrophilic surface: 142.711
 
 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


MMs02829555
PUBCHEM-ZINC01911381