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ENAMINE-ZINC03363659

 MMsINC code: MMs01397362
Type: Neutral
Formula: C20H15ClF2N2O4S
SMILES:   Clc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)c(F)cc2)ccc1F
InChI:   InChI=1/C20H15ClF2N2O4S/c1-29-18-5-3-2-4-17(18)25-30(27,28)19-10-12(6-8-16(19)23)20(26)24-13-7-9-15(22)14(21)11-13/h2-11,25H,1H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.3117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.865 g/mol  logS: -6.39134  SlogP: 4.6799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0918502  Sterimol/B1: 1.99069  Sterimol/B2: 3.06035  Sterimol/B3: 5.94312
  Sterimol/B4: 7.59468  Sterimol/L: 18.4818 
 
 Surface and Volume Properties
  Accessible surface: 652.134  Positive charged surface: 325.802  Negative charged surface: 326.332  Volume: 365.375
  Hydrophobic surface: 528.848  Hydrophilic surface: 123.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.