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PUBCHEM-ZINC04845713

 MMsINC code: MMs03178459
Type: Neutral
Formula: C17H15Cl2N3O2S
SMILES:   Clc1cc(ccc1Cl)-c1c(n(nc1C)-c1ccc(S(=O)(=O)N)cc1)C
InChI:   InChI=1/C17H15Cl2N3O2S/c1-10-17(12-3-8-15(18)16(19)9-12)11(2)22(21-10)13-4-6-14(7-5-13)25(20,23)24/h3-9H,1-2H3,(H2,20,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.2461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.298 g/mol  logS: -6.28714  SlogP: 4.11034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633855  Sterimol/B1: 2.33226  Sterimol/B2: 3.51929  Sterimol/B3: 4.4115
  Sterimol/B4: 7.27318  Sterimol/L: 18.54 
 
 Surface and Volume Properties
  Accessible surface: 609.667  Positive charged surface: 262.831  Negative charged surface: 346.836  Volume: 332.375
  Hydrophobic surface: 460.085  Hydrophilic surface: 149.582
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03178460
PUBCHEM-ZINC04845713