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PUBCHEM-ZINC01015003

 MMsINC code: MMs02757037
Type: Neutral
Formula: C19H19Cl3N2O3S
SMILES:   Clc1cc(ccc1Cl)CN(S(=O)(=O)c1ccc(Cl)cc1)CC(=O)N1CCCC1
InChI:   InChI=1/C19H19Cl3N2O3S/c20-15-4-6-16(7-5-15)28(26,27)24(13-19(25)23-9-1-2-10-23)12-14-3-8-17(21)18(22)11-14/h3-8,11H,1-2,9-10,12-13H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.9101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 461.797 g/mol  logS: -5.88817  SlogP: 4.7265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0997672  Sterimol/B1: 3.22983  Sterimol/B2: 4.61038  Sterimol/B3: 5.0629
  Sterimol/B4: 8.38592  Sterimol/L: 15.7481 
 
 Surface and Volume Properties
  Accessible surface: 660.518  Positive charged surface: 309.241  Negative charged surface: 351.276  Volume: 386.75
  Hydrophobic surface: 595.695  Hydrophilic surface: 64.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.