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MAYBRIDGE-ZINC00089272

 MMsINC code: MMs02129913
Type: Neutral
Formula: C16H10ClFN2OS
SMILES:   Clc1cc(ccc1F)C(=O)Nc1scc(n1)-c1ccccc1
InChI:   InChI=1/C16H10ClFN2OS/c17-12-8-11(6-7-13(12)18)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)

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Potential Energy
Epot(MMFF94)=66.1305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.786 g/mol  logS: -6.25069  SlogP: 4.8549  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.36111e-07  Sterimol/B1: 2.18253  Sterimol/B2: 2.18747  Sterimol/B3: 4.30211
  Sterimol/B4: 5.69264  Sterimol/L: 17.5076 
 
 Surface and Volume Properties
  Accessible surface: 541.123  Positive charged surface: 221.556  Negative charged surface: 319.567  Volume: 282
  Hydrophobic surface: 482.733  Hydrophilic surface: 58.39
 
 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.