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PUBCHEM-ZINC00308063

 MMsINC code: MMs02652332
Type: Neutral
Formula: C17H19FN2O2S
SMILES:   S(=O)(=O)(N\N=C\c1cc(F)ccc1)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C17H19FN2O2S/c1-17(2,3)14-7-9-16(10-8-14)23(21,22)20-19-12-13-5-4-6-15(18)11-13/h4-12,20H,1-3H3/b19-12+

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Potential Energy
Epot(MMFF94)=97.9258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.415 g/mol  logS: -5.8272  SlogP: 3.4356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0971842  Sterimol/B1: 3.75888  Sterimol/B2: 4.19608  Sterimol/B3: 4.53632
  Sterimol/B4: 6.58575  Sterimol/L: 15.6395 
 
 Surface and Volume Properties
  Accessible surface: 582.722  Positive charged surface: 311.584  Negative charged surface: 271.139  Volume: 308.75
  Hydrophobic surface: 419.742  Hydrophilic surface: 162.98
 
 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.