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ENAMINE-ZINC05094306

 MMsINC code: MMs01585271
Type: Neutral
Formula: C17H14N2O3S
SMILES:   S(=O)(=O)(N)c1cc(NC(=O)c2c3c(ccc2)cccc3)ccc1
InChI:   InChI=1/C17H14N2O3S/c18-23(21,22)14-8-4-7-13(11-14)19-17(20)16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H,19,20)(H2,18,21,22)

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Potential Energy
Epot(MMFF94)=68.5438 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: 0.021273  Sterimol/B1: 3.09869  Sterimol/B2: 3.25943  Sterimol/B3: 3.35771
  Sterimol/B4: 6.63912  Sterimol/L: 16.2308 
 
 Surface and Volume Properties
  Accessible surface: 542.55  Positive charged surface: 265.634  Negative charged surface: 265.844  Volume: 287.875
  Hydrophobic surface: 383.945  Hydrophilic surface: 158.605
 
 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


MMs01585272
ENAMINE-ZINC05094306