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ASINEX-ZINC00287178

 MMsINC code: MMs00109229
Type: Neutral
Formula: C17H14N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)c2c3c(ccc2)cccc3)cc1
InChI:   InChI=1/C17H14N2O3S/c18-23(21,22)14-10-8-13(9-11-14)19-17(20)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,19,20)(H2,18,21,22)

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Potential Energy
Epot(MMFF94)=72.2521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.376 g/mol  logS: -5.45936  SlogP: 2.7395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219429  Sterimol/B1: 2.98757  Sterimol/B2: 3.11475  Sterimol/B3: 3.1217
  Sterimol/B4: 7.03315  Sterimol/L: 16.959 
 
 Surface and Volume Properties
  Accessible surface: 541.553  Positive charged surface: 265.867  Negative charged surface: 264.615  Volume: 289.125
  Hydrophobic surface: 382.985  Hydrophilic surface: 158.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00109230
ASINEX-ZINC00287178