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ASINEX-ZINC04672769

 MMsINC code: MMs00358972
Type: Neutral
Formula: C19H13N3O3S
SMILES:   s1ccnc1NC(=O)c1cc2c(cc1)C(=O)N(C2=O)c1cc(ccc1)C
InChI:   InChI=1/C19H13N3O3S/c1-11-3-2-4-13(9-11)22-17(24)14-6-5-12(10-15(14)18(22)25)16(23)21-19-20-7-8-26-19/h2-10H,1H3,(H,20,21,23)

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Potential Energy
Epot(MMFF94)=92.3496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.397 g/mol  logS: -5.67387  SlogP: 3.50442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00154158  Sterimol/B1: 2.18157  Sterimol/B2: 2.51225  Sterimol/B3: 3.03285
  Sterimol/B4: 5.97608  Sterimol/L: 20.0353 
 
 Surface and Volume Properties
  Accessible surface: 591.881  Positive charged surface: 308.949  Negative charged surface: 282.932  Volume: 316.625
  Hydrophobic surface: 451.598  Hydrophilic surface: 140.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.