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ASINEX-ZINC00870318

 MMsINC code: MMs00201447
Type: Neutral
Formula: C16H14N4O3S2
SMILES:   s1ccnc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChI:   InChI=1/C16H14N4O3S2/c21-15(18-12-4-2-1-3-5-12)19-13-6-8-14(9-7-13)25(22,23)20-16-17-10-11-24-16/h1-11H,(H,17,20)(H2,18,19,21)

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Potential Energy
Epot(MMFF94)=56.0286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.445 g/mol  logS: -4.38526  SlogP: 3.5879  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752976  Sterimol/B1: 3.45013  Sterimol/B2: 4.44394  Sterimol/B3: 4.56012
  Sterimol/B4: 5.84567  Sterimol/L: 16.603 
 
 Surface and Volume Properties
  Accessible surface: 589.703  Positive charged surface: 317.754  Negative charged surface: 271.949  Volume: 314.5
  Hydrophobic surface: 416.034  Hydrophilic surface: 173.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.