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MDPI-ZINC00244012

 MMsINC code: MMs02175570
Type: Neutral
Formula: C14H12FNO2S
SMILES:   S(=O)(=O)(\N=C\c1ccc(F)cc1)c1ccc(cc1)C
InChI:   InChI=1/C14H12FNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3/b16-10+

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Potential Energy
Epot(MMFF94)=43.5443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.319 g/mol  logS: -4.30161  SlogP: 2.94192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0592814  Sterimol/B1: 3.25714  Sterimol/B2: 3.61761  Sterimol/B3: 3.6182
  Sterimol/B4: 5.66965  Sterimol/L: 15.9156 
 
 Surface and Volume Properties
  Accessible surface: 504.358  Positive charged surface: 244.787  Negative charged surface: 259.571  Volume: 247.625
  Hydrophobic surface: 429.237  Hydrophilic surface: 75.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.