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MDPI-ZINC04293683

 MMsINC code: MMs02187483
Type: Neutral
Formula: C17H16FNO4S
SMILES:   S(=O)(=O)(N1C(C1C(OC)=O)c1ccc(F)cc1)c1ccc(cc1)C
InChI:   InChI=1/C17H16FNO4S/c1-11-3-9-14(10-4-11)24(21,22)19-15(16(19)17(20)23-2)12-5-7-13(18)8-6-12/h3-10,15-16H,1-2H3/t15-,16-,19?/m1/s1

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Potential Energy
Epot(MMFF94)=112.721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.382 g/mol  logS: -4.39225  SlogP: 2.51682  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.366409  Sterimol/B1: 3.95714  Sterimol/B2: 4.79871  Sterimol/B3: 6.26369
  Sterimol/B4: 6.44886  Sterimol/L: 12.6366 
 
 Surface and Volume Properties
  Accessible surface: 534.232  Positive charged surface: 315.33  Negative charged surface: 218.902  Volume: 307.625
  Hydrophobic surface: 448.174  Hydrophilic surface: 86.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.