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NCID-ZINC01578131

 MMsINC code: MMs02236267
Type: Neutral
Formula: C18H22S2
SMILES:   S(SC(C)c1ccccc1)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C18H22S2/c1-14(15-8-6-5-7-9-15)19-20-17-12-10-16(11-13-17)18(2,3)4/h5-14H,1-4H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=72.6541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.506 g/mol  logS: -7.62477  SlogP: 6.5811  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0608761  Sterimol/B1: 2.69343  Sterimol/B2: 2.88564  Sterimol/B3: 4.46902
  Sterimol/B4: 7.04011  Sterimol/L: 15.666 
 
 Surface and Volume Properties
  Accessible surface: 563.568  Positive charged surface: 311.47  Negative charged surface: 252.097  Volume: 312
  Hydrophobic surface: 468.354  Hydrophilic surface: 95.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.