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CHEMBLOCK-ZINC00118243

 MMsINC code: MMs00500204
Type: Neutral
Formula: C7H5FN4S
SMILES:   s1nnnc1Nc1ccc(F)cc1
InChI:   InChI=1/C7H5FN4S/c8-5-1-3-6(4-2-5)9-7-10-11-12-13-7/h1-4H,(H,9,10,12)

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Potential Energy
Epot(MMFF94)=51.8969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.209 g/mol  logS: -2.59047  SlogP: 1.8158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0307881  Sterimol/B1: 2.54742  Sterimol/B2: 2.62278  Sterimol/B3: 2.82511
  Sterimol/B4: 5.27009  Sterimol/L: 11.5844 
 
 Surface and Volume Properties
  Accessible surface: 348.565  Positive charged surface: 159.849  Negative charged surface: 158.409  Volume: 157.5
  Hydrophobic surface: 256.24  Hydrophilic surface: 92.325
 
 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.