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ASINEX-ZINC00304558

 MMsINC code: MMs00114733
Type: Neutral
Formula: C14H14FNO2S
SMILES:   S(=O)(=O)(Nc1c(cccc1C)C)c1ccc(F)cc1
InChI:   InChI=1/C14H14FNO2S/c1-10-4-3-5-11(2)14(10)16-19(17,18)13-8-6-12(15)7-9-13/h3-9,16H,1-2H3

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Potential Energy
Epot(MMFF94)=50.284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.335 g/mol  logS: -3.66264  SlogP: 3.24334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.299982  Sterimol/B1: 2.47837  Sterimol/B2: 3.00775  Sterimol/B3: 6.11724
  Sterimol/B4: 6.41954  Sterimol/L: 11.6341 
 
 Surface and Volume Properties
  Accessible surface: 452.799  Positive charged surface: 236.729  Negative charged surface: 216.07  Volume: 247.375
  Hydrophobic surface: 387.239  Hydrophilic surface: 65.56
 
 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.