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FDA-ZINC02570895

 MMsINC code: MMs01725826
Type: Neutral
Formula: C17H14F3N3O2S
SMILES:   S(=O)(=O)(N)c1ccc(-n2nc(cc2-c2ccc(cc2)C)C(F)(F)F)cc1
InChI:   InChI=1/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.2261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.378 g/mol  logS: -5.84397  SlogP: 3.82542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0703636  Sterimol/B1: 1.969  Sterimol/B2: 3.04781  Sterimol/B3: 3.1244
  Sterimol/B4: 11.6501  Sterimol/L: 13.6781 
 
 Surface and Volume Properties
  Accessible surface: 581.373  Positive charged surface: 247.782  Negative charged surface: 333.591  Volume: 310.75
  Hydrophobic surface: 322.981  Hydrophilic surface: 258.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01725827
FDA-ZINC02570895