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CHEMDIV-ZINC02457883

 MMsINC code: MMs00876464
Type: Neutral
Formula: C19H15N3O2S2
SMILES:   s1nc2c(n1)cccc2S(=O)(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H15N3O2S2/c23-26(24,17-13-7-12-16-19(17)21-25-20-16)22-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18,22H

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Potential Energy
Epot(MMFF94)=54.0432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.48 g/mol  logS: -5.26841  SlogP: 3.8547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.23539  Sterimol/B1: 2.55241  Sterimol/B2: 3.92753  Sterimol/B3: 5.02439
  Sterimol/B4: 8.61551  Sterimol/L: 13.9872 
 
 Surface and Volume Properties
  Accessible surface: 582.429  Positive charged surface: 310.588  Negative charged surface: 271.841  Volume: 332.75
  Hydrophobic surface: 424.589  Hydrophilic surface: 157.84
 
 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.