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PUBCHEM-ZINC06302442

 MMsINC code: MMs03667797
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)=59.7315 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: 0.191258  Sterimol/B1: 4.00746  Sterimol/B2: 5.39214  Sterimol/B3: 5.68252
  Sterimol/B4: 7.39223  Sterimol/L: 15.3387 
 
 Surface and Volume Properties
  Accessible surface: 653.222  Positive charged surface: 397.114  Negative charged surface: 256.107  Volume: 365.625
  Hydrophobic surface: 564.694  Hydrophilic surface: 88.528
 
 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.