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SIAL-ZINC04521705

 MMsINC code: MMs03916655
Type: Neutral
Formula: C15H28O2
SMILES:   O(C(=O)CCCCCCC\C=C/CCCC)C
InChI:   InChI=1/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h6-7H,3-5,8-14H2,1-2H3/b7-6-

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Potential Energy
Epot(MMFF94)=25.9678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.387 g/mol  logS: -5.33784  SlogP: 4.6365  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0223358  Sterimol/B1: 2.54719  Sterimol/B2: 2.98052  Sterimol/B3: 3.35147
  Sterimol/B4: 6.41914  Sterimol/L: 20.9638 
 
 Surface and Volume Properties
  Accessible surface: 588.805  Positive charged surface: 472.357  Negative charged surface: 116.447  Volume: 281.875
  Hydrophobic surface: 498.394  Hydrophilic surface: 90.411
 
 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.