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PUBCHEM-ZINC05457911

 MMsINC code: MMs03275545
Type: Neutral
Formula: C16H10F2N2O3S
SMILES:   S1\C(=C\c2oc(cc2)-c2ccc(F)cc2F)\C(=O)N=C1NC(=O)C
InChI:   InChI=1/C16H10F2N2O3S/c1-8(21)19-16-20-15(22)14(24-16)7-10-3-5-13(23-10)11-4-2-9(17)6-12(11)18/h2-7H,1H3,(H,19,20,21,22)/b14-7-

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Potential Energy
Epot(MMFF94)=45.5625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.329 g/mol  logS: -6.31681  SlogP: 3.3312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291162  Sterimol/B1: 2.99412  Sterimol/B2: 3.20622  Sterimol/B3: 3.34704
  Sterimol/B4: 7.86832  Sterimol/L: 16.037 
 
 Surface and Volume Properties
  Accessible surface: 558.029  Positive charged surface: 277.211  Negative charged surface: 280.819  Volume: 287.375
  Hydrophobic surface: 404.248  Hydrophilic surface: 153.781
 
 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.