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MAYBRIDGE-ZINC01044995

 MMsINC code: MMs02155850
Type: Neutral
Formula: C19H14ClF3N2O4S2
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc2)cc1
InChI:   InChI=1/C19H14ClF3N2O4S2/c20-13-5-9-15(10-6-13)30(26,27)24-14-7-11-16(12-8-14)31(28,29)25-18-4-2-1-3-17(18)19(21,22)23/h1-12,24-25H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.7036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.91 g/mol  logS: -6.4994  SlogP: 5.2719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142847  Sterimol/B1: 3.0592  Sterimol/B2: 3.37164  Sterimol/B3: 5.26468
  Sterimol/B4: 7.21475  Sterimol/L: 16.2191 
 
 Surface and Volume Properties
  Accessible surface: 644.655  Positive charged surface: 237.206  Negative charged surface: 407.448  Volume: 374
  Hydrophobic surface: 407.92  Hydrophilic surface: 236.735
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.