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NCID-ZINC01589959

 MMsINC code: MMs02245059
Type: Neutral
Formula: C15H28O
SMILES:   O=C(C)C1(CCC(CC1)CCCC(C)C)C
InChI:   InChI=1/C15H28O/c1-12(2)6-5-7-14-8-10-15(4,11-9-14)13(3)16/h12,14H,5-11H2,1-4H3/t14-,15-

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Potential Energy
Epot(MMFF94)=43.0679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.388 g/mol  logS: -5.07686  SlogP: 4.5982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0834433  Sterimol/B1: 2.23091  Sterimol/B2: 2.98856  Sterimol/B3: 4.70783
  Sterimol/B4: 4.96048  Sterimol/L: 15.6573 
 
 Surface and Volume Properties
  Accessible surface: 493.915  Positive charged surface: 357.826  Negative charged surface: 136.089  Volume: 263.125
  Hydrophobic surface: 403.253  Hydrophilic surface: 90.662
 
 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.