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CHEMBLOCK-ZINC01442056

 MMsINC code: MMs00527142
Type: Neutral
Formula: C15H10F3NO3S
SMILES:   S(=O)(=O)(c1cc(OCC(F)(F)F)ccc1C#N)c1ccccc1
InChI:   InChI=1/C15H10F3NO3S/c16-15(17,18)10-22-12-7-6-11(9-19)14(8-12)23(20,21)13-4-2-1-3-5-13/h1-8H,10H2

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Potential Energy
Epot(MMFF94)=83.3315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.309 g/mol  logS: -4.83373  SlogP: 3.75208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895723  Sterimol/B1: 2.21026  Sterimol/B2: 3.46973  Sterimol/B3: 5.54265
  Sterimol/B4: 6.04262  Sterimol/L: 15.1867 
 
 Surface and Volume Properties
  Accessible surface: 519.691  Positive charged surface: 194.967  Negative charged surface: 324.724  Volume: 269.5
  Hydrophobic surface: 300.525  Hydrophilic surface: 219.166
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.