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IBS-ZINC04025575

 MMsINC code: MMs01874733
Type: Neutral
Formula: C16H30O2
SMILES:   O1CCCCCCCCCCCCCC(C)C1=O
InChI:   InChI=1/C16H30O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-18-16(15)17/h15H,2-14H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=72.0501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.414 g/mol  logS: -5.47353  SlogP: 4.8605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124187  Sterimol/B1: 2.44322  Sterimol/B2: 3.9167  Sterimol/B3: 5.47036
  Sterimol/B4: 6.29503  Sterimol/L: 12.3331 
 
 Surface and Volume Properties
  Accessible surface: 490.984  Positive charged surface: 386.317  Negative charged surface: 104.667  Volume: 289.5
  Hydrophobic surface: 442.946  Hydrophilic surface: 48.038
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.