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NCID-ZINC01767863

 MMsINC code: MMs02370332
Type: Neutral
Formula: C18H26OS
SMILES:   S(C1CCCCCCCCCCC1=O)c1ccccc1
InChI:   InChI=1/C18H26OS/c19-17-14-10-5-3-1-2-4-6-11-15-18(17)20-16-12-8-7-9-13-16/h7-9,12-13,18H,1-6,10-11,14-15H2/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=162.293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.471 g/mol  logS: -6.46502  SlogP: 5.631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24472  Sterimol/B1: 3.62103  Sterimol/B2: 4.65929  Sterimol/B3: 5.20477
  Sterimol/B4: 5.44192  Sterimol/L: 13.6704 
 
 Surface and Volume Properties
  Accessible surface: 502.739  Positive charged surface: 326.464  Negative charged surface: 176.275  Volume: 304.5
  Hydrophobic surface: 462.112  Hydrophilic surface: 40.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.