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PUBCHEM-ZINC00975610

 MMsINC code: MMs02747473
Type: Neutral
Formula: C17H15F6NO3S
SMILES:   S(=O)(=O)(N(C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)C
InChI:   InChI=1/C17H15F6NO3S/c1-11-3-9-14(10-4-11)28(26,27)24(2)13-7-5-12(6-8-13)15(25,16(18,19)20)17(21,22)23/h3-10,25H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 427.365 g/mol  logS: -5.53322  SlogP: 5.28362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0946247  Sterimol/B1: 2.40665  Sterimol/B2: 3.16568  Sterimol/B3: 4.54951
  Sterimol/B4: 7.87452  Sterimol/L: 15.8704 
 
 Surface and Volume Properties
  Accessible surface: 577.742  Positive charged surface: 251.636  Negative charged surface: 326.106  Volume: 326
  Hydrophobic surface: 335.01  Hydrophilic surface: 242.732
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.