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NCID-ZINC01682851

 MMsINC code: MMs02316484
Type: Neutral
Formula: C8H4FNOS
SMILES:   S=C1Nc2c(cccc2F)C1=O
InChI:   InChI=1/C8H4FNOS/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)

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Potential Energy
Epot(MMFF94)=51.6658 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: 2.2866e-07  Sterimol/B1: 2.33104  Sterimol/B2: 2.33496  Sterimol/B3: 3.35237
  Sterimol/B4: 4.9234  Sterimol/L: 11.0731 
 
 Surface and Volume Properties
  Accessible surface: 335.58  Positive charged surface: 133.198  Negative charged surface: 202.381  Volume: 147.75
  Hydrophobic surface: 180.137  Hydrophilic surface: 155.443
 
 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.