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ENAMINE-ZINC03569749

 MMsINC code: MMs01513209
Type: Neutral
Formula: C19H15Cl3N2O3S2
SMILES:   Clc1ccccc1CN(C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)C
InChI:   InChI=1/C19H15Cl3N2O3S2/c1-24(11-13-4-2-3-5-15(13)20)19(25)12-6-8-14(9-7-12)23-29(26,27)16-10-17(21)28-18(16)22/h2-10,23H,11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.3337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 489.831 g/mol  logS: -7.3339  SlogP: 6.0477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126726  Sterimol/B1: 2.20692  Sterimol/B2: 3.19236  Sterimol/B3: 5.32428
  Sterimol/B4: 8.88886  Sterimol/L: 15.8171 
 
 Surface and Volume Properties
  Accessible surface: 657.551  Positive charged surface: 260.066  Negative charged surface: 397.485  Volume: 388.5
  Hydrophobic surface: 550.36  Hydrophilic surface: 107.191
 
 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.