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CHEMDIV-ZINC06996658

 MMsINC code: MMs01068472
Type: Neutral
Formula: C16H22N4O4S2
SMILES:   s1c(nnc1S(=O)(=O)N(Cc1ccc(OC)cc1)CC)NC(=O)C(C)C
InChI:   InChI=1/C16H22N4O4S2/c1-5-20(10-12-6-8-13(24-4)9-7-12)26(22,23)16-19-18-15(25-16)17-14(21)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,17,18,21)

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Potential Energy
Epot(MMFF94)=68.5051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.508 g/mol  logS: -4.59687  SlogP: 2.6184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0356848  Sterimol/B1: 2.56358  Sterimol/B2: 3.28956  Sterimol/B3: 4.73419
  Sterimol/B4: 7.02441  Sterimol/L: 21.1989 
 
 Surface and Volume Properties
  Accessible surface: 639.141  Positive charged surface: 390.659  Negative charged surface: 248.482  Volume: 352.375
  Hydrophobic surface: 431.539  Hydrophilic surface: 207.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.