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ENAMINE-ZINC03225924

 MMsINC code: MMs01316035
Type: Neutral
Formula: C13H10Cl3N3O4S2
SMILES:   Clc1cc(Cl)ccc1C1Nc2cc(Cl)c(S(=O)(=O)N)cc2S(=O)(=O)N1
InChI:   InChI=1/C13H10Cl3N3O4S2/c14-6-1-2-7(8(15)3-6)13-18-10-4-9(16)11(24(17,20)21)5-12(10)25(22,23)19-13/h1-5,13,18-19H,(H2,17,20,21)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.85741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.731 g/mol  logS: -5.24627  SlogP: 2.7923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194112  Sterimol/B1: 2.9211  Sterimol/B2: 4.15727  Sterimol/B3: 4.22546
  Sterimol/B4: 7.2941  Sterimol/L: 14.313 
 
 Surface and Volume Properties
  Accessible surface: 550.874  Positive charged surface: 197.039  Negative charged surface: 353.835  Volume: 311.875
  Hydrophobic surface: 335.199  Hydrophilic surface: 215.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01316036
ENAMINE-ZINC03225924