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ENAMINE-ZINC00470885

 MMsINC code: MMs01231115
Type: Neutral
Formula: C10H13FN2O3S
SMILES:   S(=O)(=O)(N(CC(=O)NC)C)c1ccc(F)cc1
InChI:   InChI=1/C10H13FN2O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=28.6933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.289 g/mol  logS: -1.76599  SlogP: 0.1922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207596  Sterimol/B1: 2.2035  Sterimol/B2: 2.60329  Sterimol/B3: 4.91796
  Sterimol/B4: 7.44583  Sterimol/L: 11.0136 
 
 Surface and Volume Properties
  Accessible surface: 435.026  Positive charged surface: 282.839  Negative charged surface: 152.187  Volume: 221.125
  Hydrophobic surface: 337.164  Hydrophilic surface: 97.862
 
 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.