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ASINEX-ZINC00235478

 MMsINC code: MMs00095580
Type: Neutral
Formula: C16H10FNO3S2
SMILES:   s1cccc1-c1csc(NC(=O)c2ccccc2F)c1C(O)=O
InChI:   InChI=1/C16H10FNO3S2/c17-11-5-2-1-4-9(11)14(19)18-15-13(16(20)21)10(8-23-15)12-6-3-7-22-12/h1-8H,(H,18,19)(H,20,21)

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Potential Energy
Epot(MMFF94)=72.1025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.39 g/mol  logS: -5.63319  SlogP: 4.5662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0156342  Sterimol/B1: 2.73845  Sterimol/B2: 3.04393  Sterimol/B3: 3.53963
  Sterimol/B4: 6.04488  Sterimol/L: 17.0266 
 
 Surface and Volume Properties
  Accessible surface: 542.417  Positive charged surface: 223.986  Negative charged surface: 318.431  Volume: 288.375
  Hydrophobic surface: 436.542  Hydrophilic surface: 105.875
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00095581
ASINEX-ZINC00235478