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ENAMINE-ZINC03504509

 MMsINC code: MMs01478851
Type: Neutral
Formula: C14H10ClF4NO2S
SMILES:   Clc1cc(C(F)(F)F)c(S(=O)(=O)NCc2ccccc2F)cc1
InChI:   InChI=1/C14H10ClF4NO2S/c15-10-5-6-13(11(7-10)14(17,18)19)23(21,22)20-8-9-3-1-2-4-12(9)16/h1-7,20H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.1955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.75 g/mol  logS: -5.07658  SlogP: 4.5543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125986  Sterimol/B1: 3.342  Sterimol/B2: 4.32014  Sterimol/B3: 4.82408
  Sterimol/B4: 5.39132  Sterimol/L: 15.1338 
 
 Surface and Volume Properties
  Accessible surface: 504.661  Positive charged surface: 181.347  Negative charged surface: 323.315  Volume: 271.375
  Hydrophobic surface: 368.642  Hydrophilic surface: 136.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.