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NCID-ZINC01579163

 MMsINC code: MMs02237017
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)=35.0121 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: 0.125785  Sterimol/B1: 2.30933  Sterimol/B2: 3.2725  Sterimol/B3: 4.3
  Sterimol/B4: 8.5371  Sterimol/L: 14.6408 
 
 Surface and Volume Properties
  Accessible surface: 558.826  Positive charged surface: 452.546  Negative charged surface: 106.28  Volume: 327
  Hydrophobic surface: 545.205  Hydrophilic surface: 13.621
 
 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.