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CHEMDIV-ZINC06859649

 MMsINC code: MMs01048085
Type: Neutral
Formula: C18H17FN2O3S2
SMILES:   s1c2cc(S(=O)(=O)CCC(=O)Nc3cc(F)c(cc3)C)ccc2nc1C
InChI:   InChI=1/C18H17FN2O3S2/c1-11-3-4-13(9-15(11)19)21-18(22)7-8-26(23,24)14-5-6-16-17(10-14)25-12(2)20-16/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=60.9402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.475 g/mol  logS: -4.53677  SlogP: 3.85474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0326309  Sterimol/B1: 2.7353  Sterimol/B2: 3.73229  Sterimol/B3: 4.11806
  Sterimol/B4: 7.42979  Sterimol/L: 20.1768 
 
 Surface and Volume Properties
  Accessible surface: 646.181  Positive charged surface: 338.869  Negative charged surface: 307.311  Volume: 335.25
  Hydrophobic surface: 524.01  Hydrophilic surface: 122.171
 
 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.