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NCID-ZINC01579161

 MMsINC code: MMs02237015
Type: Neutral
Formula: C20H34O
SMILES:   O=C(C1CCCCC1CC1CCCCC1)C1CCCCC1
InChI:   InChI=1/C20H34O/c21-20(17-11-5-2-6-12-17)19-14-8-7-13-18(19)15-16-9-3-1-4-10-16/h16-19H,1-15H2/t18-,19-/m1/s1

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Potential Energy
Epot(MMFF94)=49.7792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.491 g/mol  logS: -7.13543  SlogP: 5.9126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105155  Sterimol/B1: 2.95992  Sterimol/B2: 3.05457  Sterimol/B3: 3.86341
  Sterimol/B4: 7.65811  Sterimol/L: 14.9717 
 
 Surface and Volume Properties
  Accessible surface: 554.791  Positive charged surface: 444.161  Negative charged surface: 110.63  Volume: 324.875
  Hydrophobic surface: 546.025  Hydrophilic surface: 8.7660000000001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.