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ASINEX-ZINC02273175

 MMsINC code: MMs00267111
Type: Neutral
Formula: C14H13FN4O4S
SMILES:   S(=O)(=O)(NNC(=O)C(=O)NNc1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C14H13FN4O4S/c15-10-6-8-12(9-7-10)24(22,23)19-18-14(21)13(20)17-16-11-4-2-1-3-5-11/h1-9,16,19H,(H,17,20)(H,18,21)

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Potential Energy
Epot(MMFF94)=121.748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.346 g/mol  logS: -3.77869  SlogP: 0.2785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0208632  Sterimol/B1: 3.0902  Sterimol/B2: 3.6951  Sterimol/B3: 4.46762
  Sterimol/B4: 4.76877  Sterimol/L: 18.3835 
 
 Surface and Volume Properties
  Accessible surface: 574.073  Positive charged surface: 261.615  Negative charged surface: 312.458  Volume: 290.25
  Hydrophobic surface: 377.6  Hydrophilic surface: 196.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.