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PUBCHEM-ZINC00316035

 MMsINC code: MMs02652817
Type: Neutral
Formula: C16H18N2O2S2
SMILES:   s1c2c(CCCC2)c(C(=O)N(C)C)c1NC(=O)c1sccc1
InChI:   InChI=1/C16H18N2O2S2/c1-18(2)16(20)13-10-6-3-4-7-11(10)22-15(13)17-14(19)12-8-5-9-21-12/h5,8-9H,3-4,6-7H2,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=58.4525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.464 g/mol  logS: -4.2555  SlogP: 3.64244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597068  Sterimol/B1: 1.99285  Sterimol/B2: 3.49495  Sterimol/B3: 3.83434
  Sterimol/B4: 8.96471  Sterimol/L: 15.5908 
 
 Surface and Volume Properties
  Accessible surface: 563.696  Positive charged surface: 354.827  Negative charged surface: 208.869  Volume: 304
  Hydrophobic surface: 505.302  Hydrophilic surface: 58.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.