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PUBCHEM-ZINC01032217

 MMsINC code: MMs02760296
Type: Neutral
Formula: C19H15F3N2O4S2
SMILES:   s1c(C(F)(F)F)c(cc1C(OC)=O)-c1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChI:   InChI=1/C19H15F3N2O4S2/c1-28-18(25)16-10-15(17(29-16)19(20,21)22)13-2-4-14(5-3-13)30(26,27)24-11-12-6-8-23-9-7-12/h2-10,24H,11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.6372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.465 g/mol  logS: -5.55687  SlogP: 4.6719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0570493  Sterimol/B1: 2.94953  Sterimol/B2: 3.73261  Sterimol/B3: 4.66005
  Sterimol/B4: 8.18166  Sterimol/L: 20.0116 
 
 Surface and Volume Properties
  Accessible surface: 671.004  Positive charged surface: 345.952  Negative charged surface: 325.052  Volume: 365.125
  Hydrophobic surface: 441.075  Hydrophilic surface: 229.929
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.