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PUBCHEM-ZINC03675971

 MMsINC code: MMs03038454
Type: Neutral
Formula: C18H15F3N2O3S
SMILES:   S(=O)(=O)(N(C)C)c1cc2c([nH]c(-c3ccccc3C(F)(F)F)c2C=O)cc1
InChI:   InChI=1/C18H15F3N2O3S/c1-23(2)27(25,26)11-7-8-16-13(9-11)14(10-24)17(22-16)12-5-3-4-6-15(12)18(19,20)21/h3-10,22H,1-2H3

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Potential Energy
Epot(MMFF94)=61.5405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.389 g/mol  logS: -5.04618  SlogP: 4.228  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0785316  Sterimol/B1: 2.13193  Sterimol/B2: 3.58428  Sterimol/B3: 3.95476
  Sterimol/B4: 6.30998  Sterimol/L: 16.8348 
 
 Surface and Volume Properties
  Accessible surface: 579.112  Positive charged surface: 303.531  Negative charged surface: 270.364  Volume: 324.875
  Hydrophobic surface: 376.721  Hydrophilic surface: 202.391
 
 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: no related molecules available.