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PUBCHEM-ZINC02913931

 MMsINC code: MMs02958501
Type: Neutral
Formula: C10H13FN2O3S
SMILES:   S(=O)(=O)(NCCNC(=O)C)c1ccc(F)cc1
InChI:   InChI=1/C10H13FN2O3S/c1-8(14)12-6-7-13-17(15,16)10-4-2-9(11)3-5-10/h2-5,13H,6-7H2,1H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=9.63416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.289 g/mol  logS: -1.69777  SlogP: 0.2401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0815894  Sterimol/B1: 2.9466  Sterimol/B2: 3.31697  Sterimol/B3: 4.22981
  Sterimol/B4: 6.09518  Sterimol/L: 14.0959 
 
 Surface and Volume Properties
  Accessible surface: 463.611  Positive charged surface: 249.707  Negative charged surface: 213.904  Volume: 219.5
  Hydrophobic surface: 324.009  Hydrophilic surface: 139.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.