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MAYBRIDGE-ZINC01039569

 MMsINC code: MMs02153300
Type: Neutral
Formula: C16H10F3N3O2S2
SMILES:   s1c(ccc1C(=O)NC(=O)Nc1ncc(cc1)C(F)(F)F)-c1sccc1
InChI:   InChI=1/C16H10F3N3O2S2/c17-16(18,19)9-3-6-13(20-8-9)21-15(24)22-14(23)12-5-4-11(26-12)10-2-1-7-25-10/h1-8H,(H2,20,21,22,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.7488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.401 g/mol  logS: -5.51747  SlogP: 5.1638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00279441  Sterimol/B1: 2.27062  Sterimol/B2: 2.5196  Sterimol/B3: 2.92839
  Sterimol/B4: 6.64669  Sterimol/L: 20.7903 
 
 Surface and Volume Properties
  Accessible surface: 597.019  Positive charged surface: 242.942  Negative charged surface: 354.077  Volume: 312.125
  Hydrophobic surface: 383.122  Hydrophilic surface: 213.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.