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ENAMINE-ZINC03581214

 MMsINC code: MMs01517453
Type: Neutral
Formula: C14H12FNO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(OC)=O)c1ccccc1F
InChI:   InChI=1/C14H12FNO4S/c1-20-14(17)10-6-2-4-8-12(10)16-21(18,19)13-9-5-3-7-11(13)15/h2-9,16H,1H3

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Potential Energy
Epot(MMFF94)=45.8608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.317 g/mol  logS: -3.72343  SlogP: 2.4131  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.348836  Sterimol/B1: 2.42802  Sterimol/B2: 3.87107  Sterimol/B3: 5.10139
  Sterimol/B4: 8.87085  Sterimol/L: 11.8935 
 
 Surface and Volume Properties
  Accessible surface: 473.041  Positive charged surface: 278.907  Negative charged surface: 194.134  Volume: 257.75
  Hydrophobic surface: 375.788  Hydrophilic surface: 97.253
 
 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.