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NCID-ZINC01566581

 MMsINC code: MMs02227855
Type: Neutral
Formula: C16H28O2
SMILES:   O(C(=O)CCCCCCCCC=C)C1CCCC1
InChI:   InChI=1/C16H28O2/c1-2-3-4-5-6-7-8-9-14-16(17)18-15-12-10-11-13-15/h2,15H,1,3-14H2

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Potential Energy
Epot(MMFF94)=20.0484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.398 g/mol  logS: -4.93292  SlogP: 4.779  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0205754  Sterimol/B1: 2.57245  Sterimol/B2: 2.90963  Sterimol/B3: 3.63522
  Sterimol/B4: 3.93688  Sterimol/L: 21.5315 
 
 Surface and Volume Properties
  Accessible surface: 601.014  Positive charged surface: 458.997  Negative charged surface: 142.017  Volume: 289.125
  Hydrophobic surface: 515.327  Hydrophilic surface: 85.687
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.