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PUBCHEM-ZINC04723974

 MMsINC code: MMs03163311
Type: Neutral
Formula: C9H11FN2O3S
SMILES:   S(=O)(=O)(NC(C(=O)N)C)c1ccc(F)cc1
InChI:   InChI=1/C9H11FN2O3S/c1-6(9(11)13)12-16(14,15)8-4-2-7(10)3-5-8/h2-6,12H,1H3,(H2,11,13)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=15.311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.262 g/mol  logS: -2.12361  SlogP: -0.0222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215026  Sterimol/B1: 2.64449  Sterimol/B2: 4.37529  Sterimol/B3: 4.42985
  Sterimol/B4: 4.86766  Sterimol/L: 11.2395 
 
 Surface and Volume Properties
  Accessible surface: 414.084  Positive charged surface: 204.64  Negative charged surface: 209.444  Volume: 200
  Hydrophobic surface: 224.26  Hydrophilic surface: 189.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.