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ASINEX-ZINC00915919

 MMsINC code: MMs00218406
Type: Neutral
Formula: C17H12Cl2N2O4S
SMILES:   Clc1ccc(Cl)cc1-c1oc(cc1)C(=O)Nc1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C17H12Cl2N2O4S/c18-10-1-6-14(19)13(9-10)15-7-8-16(25-15)17(22)21-11-2-4-12(5-3-11)26(20,23)24/h1-9H,(H,21,22)(H2,20,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.5341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.265 g/mol  logS: -7.19681  SlogP: 4.1531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.033962  Sterimol/B1: 3.25697  Sterimol/B2: 3.53912  Sterimol/B3: 3.83154
  Sterimol/B4: 6.63259  Sterimol/L: 18.4884 
 
 Surface and Volume Properties
  Accessible surface: 621.745  Positive charged surface: 262.809  Negative charged surface: 358.936  Volume: 326.375
  Hydrophobic surface: 440.513  Hydrophilic surface: 181.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules


MMs00218407
ASINEX-ZINC00915919