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IFLAB-ZINC00193506

 MMsINC code: MMs01977089
Type: Neutral
Formula: C14H14N2O2S
SMILES:   s1c(C(=O)C)c(nc1NC(=O)c1cc(ccc1)C)C
InChI:   InChI=1/C14H14N2O2S/c1-8-5-4-6-11(7-8)13(18)16-14-15-9(2)12(19-14)10(3)17/h4-7H,1-3H3,(H,15,16,18)

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Potential Energy
Epot(MMFF94)=57.8867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.344 g/mol  logS: -4.07874  SlogP: 3.21484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00787214  Sterimol/B1: 2.37872  Sterimol/B2: 2.51221  Sterimol/B3: 3.26726
  Sterimol/B4: 5.87323  Sterimol/L: 16.1473 
 
 Surface and Volume Properties
  Accessible surface: 510.619  Positive charged surface: 278.141  Negative charged surface: 232.479  Volume: 256.875
  Hydrophobic surface: 418.125  Hydrophilic surface: 92.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.