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NCID-ZINC01696934

 MMsINC code: MMs02327621
Type: Neutral
Formula: C16H30O2
SMILES:   O(C(=O)CCCC1CCCCC1)CC(CC)CC
InChI:   InChI=1/C16H30O2/c1-3-14(4-2)13-18-16(17)12-8-11-15-9-6-5-7-10-15/h14-15H,3-13H2,1-2H3

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Potential Energy
Epot(MMFF94)=28.2195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.414 g/mol  logS: -5.47353  SlogP: 4.7164  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.042442  Sterimol/B1: 2.76861  Sterimol/B2: 3.10865  Sterimol/B3: 3.86911
  Sterimol/B4: 4.57994  Sterimol/L: 18.4557 
 
 Surface and Volume Properties
  Accessible surface: 554.679  Positive charged surface: 438.352  Negative charged surface: 116.327  Volume: 291.75
  Hydrophobic surface: 481.287  Hydrophilic surface: 73.392
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.