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ASINEX-ZINC00645941

 MMsINC code: MMs00144911
Type: Neutral
Formula: C16H11F3N2O4S
SMILES:   S1(=O)(=O)N(CC(=O)Nc2cc(ccc2)C(F)(F)F)C(=O)c2c1cccc2
InChI:   InChI=1/C16H11F3N2O4S/c17-16(18,19)10-4-3-5-11(8-10)20-14(22)9-21-15(23)12-6-1-2-7-13(12)26(21,24)25/h1-8H,9H2,(H,20,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.1566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.334 g/mol  logS: -4.87945  SlogP: 2.8001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804143  Sterimol/B1: 2.91999  Sterimol/B2: 3.12868  Sterimol/B3: 5.1632
  Sterimol/B4: 5.38197  Sterimol/L: 17.3642 
 
 Surface and Volume Properties
  Accessible surface: 570.431  Positive charged surface: 231.081  Negative charged surface: 339.35  Volume: 296.125
  Hydrophobic surface: 325.055  Hydrophilic surface: 245.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.