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ENAMINE-ZINC03435409

 MMsINC code: MMs01440388
Type: Ionized
Formula: C18H19FN3O2S2-
SMILES:   S(Cc1cc(F)ccc1)c1nc2cc(S(=O)([O-])=[NH])ccc2n1CCCC
InChI:   InChI=1/C18H19FN3O2S2/c1-2-3-9-22-17-8-7-15(26(20,23)24)11-16(17)21-18(22)25-12-13-5-4-6-14(19)10-13/h4-8,10-11H,2-3,9,12H2,1H3,(H-,20,23,24)/q-1

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Potential Energy
Epot(MMFF94)=33.7735 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.499 g/mol  logS: -6.67981  SlogP: 4.7722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073386  Sterimol/B1: 2.50711  Sterimol/B2: 2.92138  Sterimol/B3: 4.48903
  Sterimol/B4: 11.598  Sterimol/L: 17.6033 
 
 Surface and Volume Properties
  Accessible surface: 650.504  Positive charged surface: 344.587  Negative charged surface: 305.917  Volume: 349.625
  Hydrophobic surface: 474.218  Hydrophilic surface: 176.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 3  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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MMs01440387
ENAMINE-ZINC03435409