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NCID-ZINC01595330

 MMsINC code: MMs02249660
Type: Neutral
Formula: C8H4FNOS
SMILES:   S=C1Nc2c(C1=O)c(F)ccc2
InChI:   InChI=1/C8H4FNOS/c9-4-2-1-3-5-6(4)7(11)8(12)10-5/h1-3H,(H,10,11,12)

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Potential Energy
Epot(MMFF94)=45.7003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.19 g/mol  logS: -3.57066  SlogP: 1.7613  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.12163e-07  Sterimol/B1: 2.33119  Sterimol/B2: 2.33481  Sterimol/B3: 3.23287
  Sterimol/B4: 4.9615  Sterimol/L: 11.0982 
 
 Surface and Volume Properties
  Accessible surface: 332.713  Positive charged surface: 135.057  Negative charged surface: 197.656  Volume: 148.625
  Hydrophobic surface: 179.558  Hydrophilic surface: 153.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.