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CHEMDIV-ZINC00618723

 MMsINC code: MMs00855689
Type: Neutral
Formula: C13H13FN2O3S
SMILES:   S(=O)(=O)(NCc1cccnc1)c1cc(F)ccc1OC
InChI:   InChI=1/C13H13FN2O3S/c1-19-12-5-4-11(14)7-13(12)20(17,18)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3

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Potential Energy
Epot(MMFF94)=30.3775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.322 g/mol  logS: -2.07798  SlogP: 1.9742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148471  Sterimol/B1: 1.99555  Sterimol/B2: 3.78021  Sterimol/B3: 4.73679
  Sterimol/B4: 7.51796  Sterimol/L: 14.2211 
 
 Surface and Volume Properties
  Accessible surface: 488.983  Positive charged surface: 289.542  Negative charged surface: 199.441  Volume: 252.75
  Hydrophobic surface: 391.076  Hydrophilic surface: 97.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.