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ASINEX-ZINC00892344

 MMsINC code: MMs00210174
Type: Neutral
Formula: C18H15N3O3S
SMILES:   S(=O)(=O)(Nc1ccc(NC(=O)c2cccnc2)cc1)c1ccccc1
InChI:   InChI=1/C18H15N3O3S/c22-18(14-5-4-12-19-13-14)20-15-8-10-16(11-9-15)21-25(23,24)17-6-2-1-3-7-17/h1-13,21H,(H,20,22)

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Potential Energy
Epot(MMFF94)=76.9222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.402 g/mol  logS: -3.75857  SlogP: 3.1347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0797754  Sterimol/B1: 2.42964  Sterimol/B2: 2.93648  Sterimol/B3: 5.19999
  Sterimol/B4: 7.1106  Sterimol/L: 16.9876 
 
 Surface and Volume Properties
  Accessible surface: 579.791  Positive charged surface: 329.983  Negative charged surface: 249.808  Volume: 315.5
  Hydrophobic surface: 445.238  Hydrophilic surface: 134.553
 
 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.