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PUBCHEM-ZINC05820907

 MMsINC code: MMs03399920
Type: Neutral
Formula: C18H30O2
SMILES:   O1C(\C=C\C=C\CCCCCCCC1=O)CCCCC
InChI:   InChI=1/C18H30O2/c1-2-3-11-14-17-15-12-9-7-5-4-6-8-10-13-16-18(19)20-17/h7,9,12,15,17H,2-6,8,10-11,13-14,16H2,1H3/b9-7+,15-12+/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=66.3516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.436 g/mol  logS: -5.57377  SlogP: 5.3352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614276  Sterimol/B1: 2.44991  Sterimol/B2: 4.78343  Sterimol/B3: 5.23264
  Sterimol/B4: 5.53835  Sterimol/L: 16.6999 
 
 Surface and Volume Properties
  Accessible surface: 550.133  Positive charged surface: 415.511  Negative charged surface: 134.622  Volume: 314.75
  Hydrophobic surface: 496.419  Hydrophilic surface: 53.714
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.