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ENAMINE-ZINC03446170

 MMsINC code: MMs01447549
Type: Neutral
Formula: C19H14ClF3N2O4S2
SMILES:   Clc1cc(C(F)(F)F)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChI:   InChI=1/C19H14ClF3N2O4S2/c20-13-6-11-18(17(12-13)19(21,22)23)31(28,29)25-15-7-9-16(10-8-15)30(26,27)24-14-4-2-1-3-5-14/h1-12,24-25H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.6558 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: 0.141118  Sterimol/B1: 2.53145  Sterimol/B2: 4.47143  Sterimol/B3: 5.16401
  Sterimol/B4: 7.24784  Sterimol/L: 15.6294 
 
 Surface and Volume Properties
  Accessible surface: 643.572  Positive charged surface: 250.836  Negative charged surface: 392.736  Volume: 372.625
  Hydrophobic surface: 426.719  Hydrophilic surface: 216.853
 
 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.