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ASINEX-ZINC00892697

 MMsINC code: MMs00210335
Type: Neutral
Formula: C16H15N3O3S2
SMILES:   s1c2cc(ccc2nc1NS(=O)(=O)c1ccc(NC(=O)C)cc1)C
InChI:   InChI=1/C16H15N3O3S2/c1-10-3-8-14-15(9-10)23-16(18-14)19-24(21,22)13-6-4-12(5-7-13)17-11(2)20/h3-9H,1-2H3,(H,17,20)(H,18,19)

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Potential Energy
Epot(MMFF94)=33.1246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.446 g/mol  logS: -5.01694  SlogP: 3.36392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063373  Sterimol/B1: 2.56513  Sterimol/B2: 3.30875  Sterimol/B3: 4.22815
  Sterimol/B4: 8.45793  Sterimol/L: 16.9101 
 
 Surface and Volume Properties
  Accessible surface: 579.767  Positive charged surface: 296.416  Negative charged surface: 283.351  Volume: 309.75
  Hydrophobic surface: 424.973  Hydrophilic surface: 154.794
 
 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.