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IBS-ZINC02314799

 MMsINC code: MMs01830327
Type: Neutral
Formula: C18H11Cl2N3O3S3
SMILES:   Clc1c2c(sc1C(=O)Nc1ccc(S(=O)(=O)Nc3sccn3)cc1)cc(Cl)cc2
InChI:   InChI=1/C18H11Cl2N3O3S3/c19-10-1-6-13-14(9-10)28-16(15(13)20)17(24)22-11-2-4-12(5-3-11)29(25,26)23-18-21-7-8-27-18/h1-9H,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=62.2377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.408 g/mol  logS: -7.61001  SlogP: 5.7177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0270825  Sterimol/B1: 2.9527  Sterimol/B2: 3.60315  Sterimol/B3: 3.8679
  Sterimol/B4: 6.63869  Sterimol/L: 19.7555 
 
 Surface and Volume Properties
  Accessible surface: 662.695  Positive charged surface: 258.103  Negative charged surface: 399.691  Volume: 370.75
  Hydrophobic surface: 520.487  Hydrophilic surface: 142.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.