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PUBCHEM-ZINC02883270

 MMsINC code: MMs02953189
Type: Neutral
Formula: C15H13FN6O3S2
SMILES:   S(CC(=O)Nc1ccc(S(=O)(=O)N)cc1)c1nnnn1-c1ccc(F)cc1
InChI:   InChI=1/C15H13FN6O3S2/c16-10-1-5-12(6-2-10)22-15(19-20-21-22)26-9-14(23)18-11-3-7-13(8-4-11)27(17,24)25/h1-8H,9H2,(H,18,23)(H2,17,24,25)

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Potential Energy
Epot(MMFF94)=77.6879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.438 g/mol  logS: -5.19449  SlogP: 1.1796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0207226  Sterimol/B1: 2.49256  Sterimol/B2: 3.75537  Sterimol/B3: 4.78853
  Sterimol/B4: 5.59904  Sterimol/L: 19.4843 
 
 Surface and Volume Properties
  Accessible surface: 623.815  Positive charged surface: 275.201  Negative charged surface: 314.772  Volume: 325.125
  Hydrophobic surface: 378.81  Hydrophilic surface: 245.005
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs02953190
PUBCHEM-ZINC02883270