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ASINEX-ZINC01427367

 MMsINC code: MMs00254263
Type: Neutral
Formula: C18H17N3O4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)-c1oc(nc1)C)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C18H17N3O4S/c1-12(22)20-15-7-9-17(10-8-15)26(23,24)21-16-5-3-14(4-6-16)18-11-19-13(2)25-18/h3-11,21H,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=67.9068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.417 g/mol  logS: -4.45817  SlogP: 3.40922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104589  Sterimol/B1: 3.04796  Sterimol/B2: 3.36767  Sterimol/B3: 4.73391
  Sterimol/B4: 9.04593  Sterimol/L: 16.3779 
 
 Surface and Volume Properties
  Accessible surface: 613.674  Positive charged surface: 359.978  Negative charged surface: 253.697  Volume: 329.875
  Hydrophobic surface: 444.264  Hydrophilic surface: 169.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.