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PUBCHEM-ZINC05211645

 MMsINC code: MMs03224372
Type: Neutral
Formula: C18H38S
SMILES:   SCC(C(CC(C)(C)C)C)CCC(CC(C)(C)C)C
InChI:   InChI=1/C18H38S/c1-14(11-17(3,4)5)9-10-16(13-19)15(2)12-18(6,7)8/h14-16,19H,9-13H2,1-8H3/t14-,15+,16+/m1/s1

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Potential Energy
Epot(MMFF94)=142.281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.568 g/mol  logS: -8.52283  SlogP: 6.4572  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0733727  Sterimol/B1: 1.969  Sterimol/B2: 3.97452  Sterimol/B3: 5.3169
  Sterimol/B4: 5.37416  Sterimol/L: 16.8239 
 
 Surface and Volume Properties
  Accessible surface: 575.654  Positive charged surface: 401.403  Negative charged surface: 174.252  Volume: 337.5
  Hydrophobic surface: 408.714  Hydrophilic surface: 166.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.