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ASINEX-ZINC00694560

 MMsINC code: MMs00149073
Type: Neutral
Formula: C17H15N3O3S2
SMILES:   s1ccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1
InChI:   InChI=1/C17H15N3O3S2/c1-12-4-2-3-5-15(12)16(21)19-13-6-8-14(9-7-13)25(22,23)20-17-18-10-11-24-17/h2-11H,1H3,(H,18,20)(H,19,21)

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Potential Energy
Epot(MMFF94)=75.2005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.457 g/mol  logS: -4.962  SlogP: 3.50462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0365141  Sterimol/B1: 3.12705  Sterimol/B2: 3.24276  Sterimol/B3: 3.66046
  Sterimol/B4: 6.86084  Sterimol/L: 16.9809 
 
 Surface and Volume Properties
  Accessible surface: 584.76  Positive charged surface: 314.835  Negative charged surface: 269.925  Volume: 317.625
  Hydrophobic surface: 443.934  Hydrophilic surface: 140.826
 
 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.