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KEYORGANICS-ZINC01393804

 MMsINC code: MMs02101673
Type: Neutral
Formula: C17H15FN2O4S
SMILES:   S(=O)(=O)(NCc1onc(c1)-c1ccc(OC)cc1)c1ccc(F)cc1
InChI:   InChI=1/C17H15FN2O4S/c1-23-14-6-2-12(3-7-14)17-10-15(24-20-17)11-19-25(21,22)16-8-4-13(18)5-9-16/h2-10,19H,11H2,1H3

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Potential Energy
Epot(MMFF94)=51.7538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.381 g/mol  logS: -4.53057  SlogP: 3.2342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0427537  Sterimol/B1: 2.72149  Sterimol/B2: 4.08869  Sterimol/B3: 4.22985
  Sterimol/B4: 6.67475  Sterimol/L: 17.7556 
 
 Surface and Volume Properties
  Accessible surface: 601.14  Positive charged surface: 312.93  Negative charged surface: 288.21  Volume: 307.5
  Hydrophobic surface: 472.479  Hydrophilic surface: 128.661
 
 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.