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NCID-ZINC01731255

 MMsINC code: MMs02354172
Type: Neutral
Formula: C10H9FN2O2S
SMILES:   s1cccc1CCN1C=C(F)C(=O)NC1=O
InChI:   InChI=1/C10H9FN2O2S/c11-8-6-13(10(15)12-9(8)14)4-3-7-2-1-5-16-7/h1-2,5-6H,3-4H2,(H,12,14,15)

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Potential Energy
Epot(MMFF94)=10.0566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.258 g/mol  logS: -2.33234  SlogP: 1.76217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0326951  Sterimol/B1: 2.68655  Sterimol/B2: 2.79629  Sterimol/B3: 3.33282
  Sterimol/B4: 4.58497  Sterimol/L: 14.1668 
 
 Surface and Volume Properties
  Accessible surface: 417.682  Positive charged surface: 201.195  Negative charged surface: 216.488  Volume: 198.25
  Hydrophobic surface: 300.879  Hydrophilic surface: 116.803
 
 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.