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MAYBRIDGE-ZINC01032421

 MMsINC code: MMs02149795
Type: Neutral
Formula: C20H13ClF3N3O2S2
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccc(-n3nc(cc3-c3sccc3)C(F)(F)F)cc2)cc1
InChI:   InChI=1/C20H13ClF3N3O2S2/c21-13-3-9-16(10-4-13)31(28,29)26-14-5-7-15(8-6-14)27-17(18-2-1-11-30-18)12-19(25-27)20(22,23)24/h1-12,26H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 483.922 g/mol  logS: -7.16212  SlogP: 6.3853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118475  Sterimol/B1: 3.19846  Sterimol/B2: 4.14806  Sterimol/B3: 5.53762
  Sterimol/B4: 9.32551  Sterimol/L: 14.4894 
 
 Surface and Volume Properties
  Accessible surface: 666.572  Positive charged surface: 237.454  Negative charged surface: 429.118  Volume: 377.625
  Hydrophobic surface: 465.987  Hydrophilic surface: 200.585
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.