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PUBCHEM-ZINC05965676

 MMsINC code: MMs03465751
Type: Neutral
Formula: C15H14FNO3S2
SMILES:   S1\C(=C/c2cc(F)ccc2)\C(=O)N(C(CCC)C(O)=O)C1=S
InChI:   InChI=1/C15H14FNO3S2/c1-2-4-11(14(19)20)17-13(18)12(22-15(17)21)8-9-5-3-6-10(16)7-9/h3,5-8,11H,2,4H2,1H3,(H,19,20)/b12-8+/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=75.6498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.411 g/mol  logS: -5.57297  SlogP: 3.2802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17714  Sterimol/B1: 2.4724  Sterimol/B2: 3.12519  Sterimol/B3: 5.98071
  Sterimol/B4: 7.49565  Sterimol/L: 13.0034 
 
 Surface and Volume Properties
  Accessible surface: 537.311  Positive charged surface: 255.53  Negative charged surface: 281.781  Volume: 287.625
  Hydrophobic surface: 328.411  Hydrophilic surface: 208.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03465752
PUBCHEM-ZINC05965676