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IFLAB-ZINC00081766

 MMsINC code: MMs01973328
Type: Neutral
Formula: C9H10FNO4S
SMILES:   S(=O)(=O)(NCC(O)=O)c1cc(C)c(F)cc1
InChI:   InChI=1/C9H10FNO4S/c1-6-4-7(2-3-8(6)10)16(14,15)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=11.6601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.246 g/mol  logS: -1.67415  SlogP: 0.49702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151259  Sterimol/B1: 2.42284  Sterimol/B2: 2.79612  Sterimol/B3: 5.2741
  Sterimol/B4: 5.59453  Sterimol/L: 12.642 
 
 Surface and Volume Properties
  Accessible surface: 422.865  Positive charged surface: 211.753  Negative charged surface: 211.111  Volume: 198.625
  Hydrophobic surface: 233.366  Hydrophilic surface: 189.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs01973329
IFLAB-ZINC00081766