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PUBCHEM-ZINC06302441

 MMsINC code: MMs03667796
Type: Neutral
Formula: C19H22N2O3S2
SMILES:   S(=O)(=O)(\N=C(/N=C(/SC(C)C)\OC)\c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C19H22N2O3S2/c1-14(2)25-19(24-4)20-18(16-8-6-5-7-9-16)21-26(22,23)17-12-10-15(3)11-13-17/h5-14H,1-4H3/b20-19+,21-18-

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Potential Energy
Epot(MMFF94)=58.2901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.528 g/mol  logS: -6.56659  SlogP: 4.27452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159414  Sterimol/B1: 3.50674  Sterimol/B2: 5.75011  Sterimol/B3: 6.11479
  Sterimol/B4: 7.59387  Sterimol/L: 15.5978 
 
 Surface and Volume Properties
  Accessible surface: 655.099  Positive charged surface: 387.972  Negative charged surface: 267.127  Volume: 365
  Hydrophobic surface: 558.25  Hydrophilic surface: 96.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.