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CHEMDIV-ZINC00259555

 MMsINC code: MMs00847145
Type: Neutral
Formula: C14H19FN2O3S
SMILES:   S(=O)(=O)(N1CC(CC(C1)C)C)c1cc(C(=O)N)c(F)cc1
InChI:   InChI=1/C14H19FN2O3S/c1-9-5-10(2)8-17(7-9)21(19,20)11-3-4-13(15)12(6-11)14(16)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H2,16,18)/t9-,10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.5546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.381 g/mol  logS: -3.00323  SlogP: 1.5912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.225067  Sterimol/B1: 2.68577  Sterimol/B2: 3.955  Sterimol/B3: 5.55006
  Sterimol/B4: 5.84766  Sterimol/L: 12.9752 
 
 Surface and Volume Properties
  Accessible surface: 484.786  Positive charged surface: 294.692  Negative charged surface: 190.095  Volume: 275.125
  Hydrophobic surface: 301.531  Hydrophilic surface: 183.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.