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IFLAB-ZINC00074393

 MMsINC code: MMs01972965
Type: Neutral
Formula: C12H16FNO2S
SMILES:   S(=O)(=O)(NC1CCCCC1)c1ccccc1F
InChI:   InChI=1/C12H16FNO2S/c13-11-8-4-5-9-12(11)17(15,16)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2

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Potential Energy
Epot(MMFF94)=-2.81829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.329 g/mol  logS: -2.98898  SlogP: 2.4367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21039  Sterimol/B1: 2.70088  Sterimol/B2: 3.54181  Sterimol/B3: 4.35239
  Sterimol/B4: 5.91808  Sterimol/L: 11.9439 
 
 Surface and Volume Properties
  Accessible surface: 446.507  Positive charged surface: 262.373  Negative charged surface: 184.134  Volume: 231.875
  Hydrophobic surface: 374.359  Hydrophilic surface: 72.148
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.