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CHEMDIV-ZINC05141904

 MMsINC code: MMs00991541
Type: Neutral
Formula: C18H18FN3O3S2
SMILES:   s1c2cc(S(=O)(=O)N(CC(=O)NCc3ccc(F)cc3)C)ccc2nc1C
InChI:   InChI=1/C18H18FN3O3S2/c1-12-21-16-8-7-15(9-17(16)26-12)27(24,25)22(2)11-18(23)20-10-13-3-5-14(19)6-4-13/h3-9H,10-11H2,1-2H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=51.3176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.49 g/mol  logS: -4.21129  SlogP: 2.94712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0927702  Sterimol/B1: 2.38171  Sterimol/B2: 2.8339  Sterimol/B3: 5.14421
  Sterimol/B4: 9.77093  Sterimol/L: 17.6019 
 
 Surface and Volume Properties
  Accessible surface: 640.288  Positive charged surface: 362.871  Negative charged surface: 277.417  Volume: 352
  Hydrophobic surface: 520.815  Hydrophilic surface: 119.473
 
 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.